USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1105 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 MET CE :methyl -149:sc= -0.405 (180deg=-1.54!) USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.023 X(o=-0.84,f=-0.89) USER MOD Set 1.3: A 135 MET CE :methyl -115:sc= -0.407 (180deg=-2.47!) USER MOD Set 2.1: A 111 HIS : no HE2:sc= -0.0692 K(o=1.2,f=0.48) USER MOD Set 2.2: A 115 ASN : amide:sc= 0.658 K(o=1.2,f=-8.6!) USER MOD Set 2.3: A 118 LYS NZ :NH3+ 158:sc= 0.632 (180deg=-0.646) USER MOD Set 3.1: A 85 THR OG1 : rot 161:sc= 1.67 USER MOD Set 3.2: A 98 GLN : amide:sc= -1.89 K(o=-0.23,f=-7.1!) USER MOD Set 4.1: A 14 GLN : amide:sc= 0.618 K(o=0.61,f=-2.2) USER MOD Set 4.2: A 55 TYR OH : rot 19:sc=-0.00498 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 12 HIS : no HD1:sc= -0.901 X(o=-0.9,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc=-0.00623 X(o=-0.0062,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 133:sc= 0.00736 USER MOD Single : A 36 MET CE :methyl 178:sc= -0.671 (180deg=-0.678) USER MOD Single : A 43 TYR OH : rot 48:sc= 1.3 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.35) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 1.07 (180deg=0.92) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -0.0239 (180deg=-0.575) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 167:sc= -0.0234 (180deg=-0.259) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 69 SER OG : rot 146:sc= 1.31 USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= 0.523 (180deg=-0.154!) USER MOD Single : A 72 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.033) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 28:sc= 0.904 USER MOD Single : A 87 HIS : no HD1:sc=-0.00672 X(o=-0.0067,f=-0.21) USER MOD Single : A 94 SER OG : rot -11:sc= 1.9 USER MOD Single : A 99 SER OG : rot -7:sc= 0.569 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 113 GLN : amide:sc= -1.1 K(o=-1.1,f=-4.2!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 112:sc= 1.22 USER MOD Single : A 125 LYS NZ :NH3+ 164:sc= 1.94 (180deg=1.41) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 TYR OH : rot -138:sc= 1.1 USER MOD Single : A 139 SER OG : rot 180:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 33.589 5.868 -6.919 1.00 0.00 N ATOM 2 CA ALA A 1 33.748 6.535 -5.625 1.00 0.00 C ATOM 3 C ALA A 1 34.685 5.730 -4.734 1.00 0.00 C ATOM 4 O ALA A 1 35.848 6.106 -4.538 1.00 0.00 O ATOM 5 CB ALA A 1 32.399 6.752 -4.946 1.00 0.00 C ATOM 0 H1 ALA A 1 32.948 6.425 -7.520 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.516 5.786 -7.384 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.190 4.919 -6.774 1.00 0.00 H new ATOM 0 HA ALA A 1 34.189 7.517 -5.796 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.550 7.249 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.768 7.373 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.915 5.789 -4.783 1.00 0.00 H new ATOM 13 N GLU A 2 34.205 4.615 -4.232 1.00 0.00 N ATOM 14 CA GLU A 2 34.985 3.747 -3.389 1.00 0.00 C ATOM 15 C GLU A 2 34.655 2.303 -3.697 1.00 0.00 C ATOM 16 O GLU A 2 33.533 1.987 -4.128 1.00 0.00 O ATOM 17 CB GLU A 2 34.800 4.091 -1.894 1.00 0.00 C ATOM 18 CG GLU A 2 33.351 4.209 -1.440 1.00 0.00 C ATOM 19 CD GLU A 2 33.229 4.608 0.018 1.00 0.00 C ATOM 20 OE1 GLU A 2 33.801 5.655 0.415 1.00 0.00 O ATOM 21 OE2 GLU A 2 32.572 3.881 0.801 1.00 0.00 O ATOM 0 H GLU A 2 33.255 4.285 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 2 36.042 3.902 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 2 35.292 3.324 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 2 35.309 5.032 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 2 32.839 4.946 -2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.846 3.256 -1.596 1.00 0.00 H new ATOM 28 N VAL A 3 35.617 1.449 -3.506 1.00 0.00 N ATOM 29 CA VAL A 3 35.493 0.047 -3.816 1.00 0.00 C ATOM 30 C VAL A 3 34.933 -0.640 -2.574 1.00 0.00 C ATOM 31 O VAL A 3 34.688 0.017 -1.553 1.00 0.00 O ATOM 32 CB VAL A 3 36.908 -0.554 -4.166 1.00 0.00 C ATOM 33 CG1 VAL A 3 36.825 -1.901 -4.875 1.00 0.00 C ATOM 34 CG2 VAL A 3 37.748 0.420 -4.972 1.00 0.00 C ATOM 0 H VAL A 3 36.527 1.707 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 3 34.838 -0.103 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 3 37.401 -0.726 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 3 37.831 -2.262 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 3 36.311 -2.618 -4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 3 36.274 -1.787 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 3 38.715 -0.031 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 3 37.236 0.657 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 3 37.897 1.334 -4.397 1.00 0.00 H new ATOM 44 N GLU A 4 34.711 -1.916 -2.656 1.00 0.00 N ATOM 45 CA GLU A 4 34.249 -2.666 -1.530 1.00 0.00 C ATOM 46 C GLU A 4 35.346 -2.781 -0.496 1.00 0.00 C ATOM 47 O GLU A 4 36.540 -2.827 -0.832 1.00 0.00 O ATOM 48 CB GLU A 4 33.772 -4.045 -1.948 1.00 0.00 C ATOM 49 CG GLU A 4 34.818 -4.895 -2.633 1.00 0.00 C ATOM 50 CD GLU A 4 34.345 -6.297 -2.834 1.00 0.00 C ATOM 51 OE1 GLU A 4 33.624 -6.575 -3.824 1.00 0.00 O ATOM 52 OE2 GLU A 4 34.672 -7.159 -2.003 1.00 0.00 O ATOM 0 H GLU A 4 34.845 -2.466 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 4 33.403 -2.136 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 4 33.415 -4.574 -1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 4 32.920 -3.932 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 4 35.071 -4.454 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 4 35.730 -4.901 -2.036 1.00 0.00 H new ATOM 59 N HIS A 5 34.962 -2.801 0.739 1.00 0.00 N ATOM 60 CA HIS A 5 35.911 -2.899 1.805 1.00 0.00 C ATOM 61 C HIS A 5 35.803 -4.232 2.499 1.00 0.00 C ATOM 62 O HIS A 5 35.018 -5.096 2.092 1.00 0.00 O ATOM 63 CB HIS A 5 35.760 -1.740 2.796 1.00 0.00 C ATOM 64 CG HIS A 5 36.037 -0.398 2.188 1.00 0.00 C ATOM 65 ND1 HIS A 5 35.140 0.649 2.161 1.00 0.00 N ATOM 66 CD2 HIS A 5 37.161 0.062 1.597 1.00 0.00 C ATOM 67 CE1 HIS A 5 35.732 1.684 1.569 1.00 0.00 C ATOM 68 NE2 HIS A 5 36.971 1.381 1.207 1.00 0.00 N ATOM 0 H HIS A 5 33.988 -2.750 1.039 1.00 0.00 H new ATOM 0 HA HIS A 5 36.909 -2.827 1.372 1.00 0.00 H new ATOM 0 HB2 HIS A 5 34.747 -1.746 3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 5 36.438 -1.898 3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 5 38.067 -0.508 1.451 1.00 0.00 H new ATOM 0 HE1 HIS A 5 35.265 2.644 1.405 1.00 0.00 H new ATOM 0 HE2 HIS A 5 37.644 1.989 0.740 1.00 0.00 H new ATOM 76 N TYR A 6 36.590 -4.392 3.528 1.00 0.00 N ATOM 77 CA TYR A 6 36.674 -5.619 4.289 1.00 0.00 C ATOM 78 C TYR A 6 35.432 -5.775 5.137 1.00 0.00 C ATOM 79 O TYR A 6 34.848 -6.857 5.220 1.00 0.00 O ATOM 80 CB TYR A 6 37.927 -5.567 5.171 1.00 0.00 C ATOM 81 CG TYR A 6 39.171 -5.183 4.396 1.00 0.00 C ATOM 82 CD1 TYR A 6 39.513 -3.847 4.231 1.00 0.00 C ATOM 83 CD2 TYR A 6 39.980 -6.139 3.806 1.00 0.00 C ATOM 84 CE1 TYR A 6 40.617 -3.477 3.513 1.00 0.00 C ATOM 85 CE2 TYR A 6 41.095 -5.771 3.076 1.00 0.00 C ATOM 86 CZ TYR A 6 41.406 -4.438 2.936 1.00 0.00 C ATOM 87 OH TYR A 6 42.510 -4.063 2.204 1.00 0.00 O ATOM 0 H TYR A 6 37.208 -3.657 3.873 1.00 0.00 H new ATOM 0 HA TYR A 6 36.742 -6.476 3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 6 37.770 -4.850 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 6 38.080 -6.541 5.636 1.00 0.00 H new ATOM 0 HD1 TYR A 6 38.894 -3.084 4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 6 39.737 -7.185 3.917 1.00 0.00 H new ATOM 0 HE1 TYR A 6 40.866 -2.432 3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 6 41.718 -6.525 2.618 1.00 0.00 H new ATOM 0 HH TYR A 6 42.963 -4.862 1.863 1.00 0.00 H new ATOM 97 N GLU A 7 35.016 -4.687 5.744 1.00 0.00 N ATOM 98 CA GLU A 7 33.829 -4.692 6.542 1.00 0.00 C ATOM 99 C GLU A 7 32.667 -4.185 5.728 1.00 0.00 C ATOM 100 O GLU A 7 32.808 -3.217 4.958 1.00 0.00 O ATOM 101 CB GLU A 7 33.988 -3.866 7.805 1.00 0.00 C ATOM 102 CG GLU A 7 35.053 -4.382 8.734 1.00 0.00 C ATOM 103 CD GLU A 7 35.028 -3.677 10.052 1.00 0.00 C ATOM 104 OE1 GLU A 7 35.681 -2.617 10.195 1.00 0.00 O ATOM 105 OE2 GLU A 7 34.344 -4.153 10.974 1.00 0.00 O ATOM 0 H GLU A 7 35.491 -3.786 5.695 1.00 0.00 H new ATOM 0 HA GLU A 7 33.639 -5.720 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.225 -2.839 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.036 -3.842 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 7 34.912 -5.451 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 7 36.032 -4.254 8.272 1.00 0.00 H new ATOM 112 N PRO A 8 31.517 -4.830 5.847 1.00 0.00 N ATOM 113 CA PRO A 8 30.339 -4.430 5.124 1.00 0.00 C ATOM 114 C PRO A 8 29.586 -3.284 5.796 1.00 0.00 C ATOM 115 O PRO A 8 30.083 -2.643 6.735 1.00 0.00 O ATOM 116 CB PRO A 8 29.498 -5.693 5.120 1.00 0.00 C ATOM 117 CG PRO A 8 29.830 -6.361 6.407 1.00 0.00 C ATOM 118 CD PRO A 8 31.269 -6.031 6.686 1.00 0.00 C ATOM 0 HA PRO A 8 30.580 -4.050 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 8 28.435 -5.462 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 8 29.739 -6.329 4.268 1.00 0.00 H new ATOM 0 HG2 PRO A 8 29.185 -6.004 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 8 29.684 -7.439 6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.436 -5.824 7.743 1.00 0.00 H new ATOM 0 HD3 PRO A 8 31.930 -6.854 6.414 1.00 0.00 H new ATOM 126 N LEU A 9 28.398 -3.050 5.323 1.00 0.00 N ATOM 127 CA LEU A 9 27.570 -1.984 5.801 1.00 0.00 C ATOM 128 C LEU A 9 26.201 -2.575 6.025 1.00 0.00 C ATOM 129 O LEU A 9 25.620 -3.103 5.092 1.00 0.00 O ATOM 130 CB LEU A 9 27.486 -0.878 4.709 1.00 0.00 C ATOM 131 CG LEU A 9 27.277 0.588 5.175 1.00 0.00 C ATOM 132 CD1 LEU A 9 25.947 0.788 5.881 1.00 0.00 C ATOM 133 CD2 LEU A 9 28.424 1.034 6.064 1.00 0.00 C ATOM 0 H LEU A 9 27.970 -3.604 4.581 1.00 0.00 H new ATOM 0 HA LEU A 9 27.966 -1.544 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.405 -0.915 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 9 26.668 -1.135 4.035 1.00 0.00 H new ATOM 0 HG LEU A 9 27.260 1.208 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 9 25.850 1.830 6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 9 25.133 0.532 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 25.902 0.146 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.260 2.064 6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.477 0.389 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.360 0.970 5.510 1.00 0.00 H new ATOM 145 N GLN A 10 25.735 -2.565 7.246 1.00 0.00 N ATOM 146 CA GLN A 10 24.411 -3.054 7.560 1.00 0.00 C ATOM 147 C GLN A 10 23.368 -2.022 7.211 1.00 0.00 C ATOM 148 O GLN A 10 23.230 -0.989 7.889 1.00 0.00 O ATOM 149 CB GLN A 10 24.302 -3.476 9.017 1.00 0.00 C ATOM 150 CG GLN A 10 25.053 -4.744 9.322 1.00 0.00 C ATOM 151 CD GLN A 10 24.985 -5.195 10.757 1.00 0.00 C ATOM 152 OE1 GLN A 10 24.021 -4.930 11.475 1.00 0.00 O ATOM 153 NE2 GLN A 10 25.971 -5.937 11.161 1.00 0.00 N ATOM 0 H GLN A 10 26.257 -2.220 8.051 1.00 0.00 H new ATOM 0 HA GLN A 10 24.229 -3.941 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.682 -2.674 9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.251 -3.613 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 10 24.664 -5.540 8.688 1.00 0.00 H new ATOM 0 HG3 GLN A 10 26.099 -4.603 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 10 26.752 -6.133 10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.965 -6.324 12.105 1.00 0.00 H new ATOM 162 N VAL A 11 22.682 -2.282 6.140 1.00 0.00 N ATOM 163 CA VAL A 11 21.678 -1.406 5.614 1.00 0.00 C ATOM 164 C VAL A 11 20.318 -2.016 5.831 1.00 0.00 C ATOM 165 O VAL A 11 20.091 -3.168 5.490 1.00 0.00 O ATOM 166 CB VAL A 11 21.825 -1.256 4.086 1.00 0.00 C ATOM 167 CG1 VAL A 11 20.976 -0.126 3.544 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.267 -1.144 3.654 1.00 0.00 C ATOM 0 H VAL A 11 22.808 -3.133 5.592 1.00 0.00 H new ATOM 0 HA VAL A 11 21.790 -0.445 6.115 1.00 0.00 H new ATOM 0 HB VAL A 11 21.444 -2.177 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.110 -0.056 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 11 19.927 -0.319 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.279 0.812 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.315 -1.040 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 11 23.720 -0.270 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 23.808 -2.040 3.957 1.00 0.00 H new ATOM 178 N HIS A 12 19.443 -1.276 6.402 1.00 0.00 N ATOM 179 CA HIS A 12 18.079 -1.666 6.476 1.00 0.00 C ATOM 180 C HIS A 12 17.337 -0.960 5.386 1.00 0.00 C ATOM 181 O HIS A 12 17.091 0.239 5.461 1.00 0.00 O ATOM 182 CB HIS A 12 17.456 -1.387 7.836 1.00 0.00 C ATOM 183 CG HIS A 12 17.817 -2.379 8.897 1.00 0.00 C ATOM 184 ND1 HIS A 12 19.001 -2.371 9.588 1.00 0.00 N ATOM 185 CD2 HIS A 12 17.108 -3.431 9.383 1.00 0.00 C ATOM 186 CE1 HIS A 12 18.988 -3.383 10.453 1.00 0.00 C ATOM 187 NE2 HIS A 12 17.855 -4.067 10.372 1.00 0.00 N ATOM 0 H HIS A 12 19.650 -0.376 6.835 1.00 0.00 H new ATOM 0 HA HIS A 12 18.015 -2.746 6.345 1.00 0.00 H new ATOM 0 HB2 HIS A 12 17.762 -0.394 8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.372 -1.367 7.728 1.00 0.00 H new ATOM 0 HD2 HIS A 12 16.123 -3.727 9.055 1.00 0.00 H new ATOM 0 HE1 HIS A 12 19.795 -3.616 11.132 1.00 0.00 H new ATOM 0 HE2 HIS A 12 17.587 -4.886 10.918 1.00 0.00 H new ATOM 195 N VAL A 13 17.063 -1.675 4.353 1.00 0.00 N ATOM 196 CA VAL A 13 16.385 -1.144 3.232 1.00 0.00 C ATOM 197 C VAL A 13 14.919 -1.496 3.294 1.00 0.00 C ATOM 198 O VAL A 13 14.531 -2.665 3.339 1.00 0.00 O ATOM 199 CB VAL A 13 17.073 -1.533 1.877 1.00 0.00 C ATOM 200 CG1 VAL A 13 17.193 -3.029 1.656 1.00 0.00 C ATOM 201 CG2 VAL A 13 16.412 -0.856 0.699 1.00 0.00 C ATOM 0 H VAL A 13 17.309 -2.661 4.265 1.00 0.00 H new ATOM 0 HA VAL A 13 16.453 -0.057 3.270 1.00 0.00 H new ATOM 0 HB VAL A 13 18.095 -1.161 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.679 -3.218 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.787 -3.469 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 13 16.199 -3.477 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.917 -1.151 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.365 -1.154 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 16.477 0.226 0.818 1.00 0.00 H new ATOM 211 N GLN A 14 14.135 -0.477 3.400 1.00 0.00 N ATOM 212 CA GLN A 14 12.724 -0.591 3.456 1.00 0.00 C ATOM 213 C GLN A 14 12.195 -0.509 2.057 1.00 0.00 C ATOM 214 O GLN A 14 12.442 0.473 1.343 1.00 0.00 O ATOM 215 CB GLN A 14 12.143 0.522 4.326 1.00 0.00 C ATOM 216 CG GLN A 14 10.629 0.544 4.406 1.00 0.00 C ATOM 217 CD GLN A 14 10.103 1.670 5.275 1.00 0.00 C ATOM 218 OE1 GLN A 14 10.751 2.102 6.235 1.00 0.00 O ATOM 219 NE2 GLN A 14 8.937 2.163 4.949 1.00 0.00 N ATOM 0 H GLN A 14 14.472 0.484 3.451 1.00 0.00 H new ATOM 0 HA GLN A 14 12.435 -1.543 3.901 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.544 0.422 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.486 1.482 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.218 0.644 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.277 -0.409 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.428 1.784 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.536 2.927 5.493 1.00 0.00 H new ATOM 228 N LEU A 15 11.542 -1.540 1.637 1.00 0.00 N ATOM 229 CA LEU A 15 10.988 -1.559 0.332 1.00 0.00 C ATOM 230 C LEU A 15 9.521 -1.201 0.377 1.00 0.00 C ATOM 231 O LEU A 15 8.781 -1.723 1.199 1.00 0.00 O ATOM 232 CB LEU A 15 11.170 -2.921 -0.325 1.00 0.00 C ATOM 233 CG LEU A 15 12.599 -3.386 -0.651 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.538 -2.250 -1.033 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.190 -4.289 0.387 1.00 0.00 C ATOM 0 H LEU A 15 11.380 -2.385 2.185 1.00 0.00 H new ATOM 0 HA LEU A 15 11.519 -0.818 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.717 -3.668 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.600 -2.921 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 15 12.487 -3.996 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.527 -2.653 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.153 -1.741 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.607 -1.542 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.198 -4.576 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.229 -3.767 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.573 -5.182 0.486 1.00 0.00 H new ATOM 247 N GLU A 16 9.118 -0.290 -0.456 1.00 0.00 N ATOM 248 CA GLU A 16 7.729 0.063 -0.575 1.00 0.00 C ATOM 249 C GLU A 16 7.232 -0.407 -1.911 1.00 0.00 C ATOM 250 O GLU A 16 7.912 -0.249 -2.919 1.00 0.00 O ATOM 251 CB GLU A 16 7.510 1.565 -0.505 1.00 0.00 C ATOM 252 CG GLU A 16 8.016 2.242 0.736 1.00 0.00 C ATOM 253 CD GLU A 16 7.676 3.710 0.734 1.00 0.00 C ATOM 254 OE1 GLU A 16 8.253 4.478 -0.053 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.777 4.123 1.498 1.00 0.00 O ATOM 0 H GLU A 16 9.740 0.232 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 16 7.196 -0.404 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.991 2.024 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.442 1.762 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.581 1.767 1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.096 2.116 0.807 1.00 0.00 H new ATOM 262 N LYS A 17 6.080 -0.982 -1.931 1.00 0.00 N ATOM 263 CA LYS A 17 5.472 -1.406 -3.162 1.00 0.00 C ATOM 264 C LYS A 17 4.144 -0.713 -3.288 1.00 0.00 C ATOM 265 O LYS A 17 3.266 -0.944 -2.496 1.00 0.00 O ATOM 266 CB LYS A 17 5.292 -2.917 -3.166 1.00 0.00 C ATOM 267 CG LYS A 17 6.590 -3.697 -3.066 1.00 0.00 C ATOM 268 CD LYS A 17 6.311 -5.169 -2.932 1.00 0.00 C ATOM 269 CE LYS A 17 7.581 -5.980 -2.842 1.00 0.00 C ATOM 270 NZ LYS A 17 7.284 -7.403 -2.604 1.00 0.00 N ATOM 0 H LYS A 17 5.525 -1.176 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 17 6.108 -1.146 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.647 -3.197 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.776 -3.208 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.199 -3.515 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.164 -3.350 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.706 -5.344 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.725 -5.506 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.151 -5.873 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.206 -5.596 -2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.174 -7.938 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.761 -7.504 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.708 -7.773 -3.387 1.00 0.00 H new ATOM 284 N VAL A 18 4.012 0.151 -4.253 1.00 0.00 N ATOM 285 CA VAL A 18 2.805 0.946 -4.403 1.00 0.00 C ATOM 286 C VAL A 18 1.809 0.196 -5.260 1.00 0.00 C ATOM 287 O VAL A 18 2.032 -0.012 -6.453 1.00 0.00 O ATOM 288 CB VAL A 18 3.095 2.338 -5.038 1.00 0.00 C ATOM 289 CG1 VAL A 18 1.863 3.234 -5.023 1.00 0.00 C ATOM 290 CG2 VAL A 18 4.284 3.022 -4.369 1.00 0.00 C ATOM 0 H VAL A 18 4.726 0.331 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 18 2.395 1.116 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 18 3.358 2.164 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.107 4.196 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.061 2.760 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.538 3.388 -3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.457 3.991 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.073 3.164 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.172 2.400 -4.482 1.00 0.00 H new ATOM 300 N TYR A 19 0.753 -0.246 -4.642 1.00 0.00 N ATOM 301 CA TYR A 19 -0.279 -0.992 -5.319 1.00 0.00 C ATOM 302 C TYR A 19 -1.441 -0.091 -5.684 1.00 0.00 C ATOM 303 O TYR A 19 -1.442 1.101 -5.341 1.00 0.00 O ATOM 304 CB TYR A 19 -0.761 -2.107 -4.430 1.00 0.00 C ATOM 305 CG TYR A 19 0.292 -3.123 -4.105 1.00 0.00 C ATOM 306 CD1 TYR A 19 0.478 -4.217 -4.921 1.00 0.00 C ATOM 307 CD2 TYR A 19 1.077 -3.011 -2.971 1.00 0.00 C ATOM 308 CE1 TYR A 19 1.411 -5.176 -4.629 1.00 0.00 C ATOM 309 CE2 TYR A 19 2.010 -3.975 -2.671 1.00 0.00 C ATOM 310 CZ TYR A 19 2.174 -5.054 -3.504 1.00 0.00 C ATOM 311 OH TYR A 19 3.093 -6.032 -3.196 1.00 0.00 O ATOM 0 H TYR A 19 0.578 -0.101 -3.648 1.00 0.00 H new ATOM 0 HA TYR A 19 0.137 -1.408 -6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.139 -1.680 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.599 -2.609 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.125 -4.321 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.956 -2.160 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.542 -6.024 -5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.614 -3.884 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 19 3.556 -5.796 -2.365 1.00 0.00 H new ATOM 321 N LEU A 20 -2.440 -0.643 -6.351 1.00 0.00 N ATOM 322 CA LEU A 20 -3.588 0.153 -6.754 1.00 0.00 C ATOM 323 C LEU A 20 -4.692 0.102 -5.700 1.00 0.00 C ATOM 324 O LEU A 20 -5.589 0.939 -5.689 1.00 0.00 O ATOM 325 CB LEU A 20 -4.070 -0.233 -8.182 1.00 0.00 C ATOM 326 CG LEU A 20 -4.566 -1.674 -8.425 1.00 0.00 C ATOM 327 CD1 LEU A 20 -6.017 -1.859 -8.008 1.00 0.00 C ATOM 328 CD2 LEU A 20 -4.365 -2.073 -9.874 1.00 0.00 C ATOM 0 H LEU A 20 -2.481 -1.625 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.282 1.197 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.878 0.446 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.248 -0.044 -8.872 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.966 -2.332 -7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.322 -2.888 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.121 -1.640 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.650 -1.182 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.721 -3.092 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.924 -1.395 -10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.305 -2.019 -10.123 1.00 0.00 H new ATOM 340 N ASP A 21 -4.575 -0.885 -4.801 1.00 0.00 N ATOM 341 CA ASP A 21 -5.521 -1.099 -3.676 1.00 0.00 C ATOM 342 C ASP A 21 -5.536 0.094 -2.731 1.00 0.00 C ATOM 343 O ASP A 21 -6.566 0.510 -2.251 1.00 0.00 O ATOM 344 CB ASP A 21 -5.101 -2.353 -2.888 1.00 0.00 C ATOM 345 CG ASP A 21 -5.933 -2.611 -1.625 1.00 0.00 C ATOM 346 OD1 ASP A 21 -5.625 -2.005 -0.557 1.00 0.00 O ATOM 347 OD2 ASP A 21 -6.870 -3.440 -1.689 1.00 0.00 O ATOM 0 H ASP A 21 -3.818 -1.568 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.520 -1.225 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.176 -3.221 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.053 -2.256 -2.605 1.00 0.00 H new ATOM 352 N GLY A 22 -4.385 0.649 -2.498 1.00 0.00 N ATOM 353 CA GLY A 22 -4.282 1.712 -1.547 1.00 0.00 C ATOM 354 C GLY A 22 -3.232 1.380 -0.584 1.00 0.00 C ATOM 355 O GLY A 22 -2.728 2.240 0.158 1.00 0.00 O ATOM 0 H GLY A 22 -3.510 0.385 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.049 2.649 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.233 1.854 -1.035 1.00 0.00 H new ATOM 359 N ASP A 23 -2.893 0.132 -0.582 1.00 0.00 N ATOM 360 CA ASP A 23 -1.877 -0.370 0.247 1.00 0.00 C ATOM 361 C ASP A 23 -0.537 -0.205 -0.414 1.00 0.00 C ATOM 362 O ASP A 23 -0.410 0.231 -1.587 1.00 0.00 O ATOM 363 CB ASP A 23 -2.097 -1.847 0.581 1.00 0.00 C ATOM 364 CG ASP A 23 -1.571 -2.771 -0.488 1.00 0.00 C ATOM 365 OD1 ASP A 23 -2.268 -3.005 -1.496 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.446 -3.284 -0.312 1.00 0.00 O ATOM 0 H ASP A 23 -3.332 -0.573 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.905 0.200 1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.608 -2.078 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.163 -2.029 0.720 1.00 0.00 H new ATOM 371 N VAL A 24 0.431 -0.500 0.350 1.00 0.00 N ATOM 372 CA VAL A 24 1.776 -0.488 -0.015 1.00 0.00 C ATOM 373 C VAL A 24 2.481 -1.459 0.900 1.00 0.00 C ATOM 374 O VAL A 24 2.476 -1.297 2.131 1.00 0.00 O ATOM 375 CB VAL A 24 2.362 0.955 0.035 1.00 0.00 C ATOM 376 CG1 VAL A 24 1.878 1.668 1.262 1.00 0.00 C ATOM 377 CG2 VAL A 24 3.877 0.954 -0.021 1.00 0.00 C ATOM 0 H VAL A 24 0.289 -0.777 1.321 1.00 0.00 H new ATOM 0 HA VAL A 24 1.916 -0.803 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 24 2.008 1.487 -0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.294 2.675 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.790 1.726 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.198 1.122 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.243 1.980 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.272 0.397 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.207 0.485 -0.948 1.00 0.00 H new ATOM 387 N SER A 25 2.997 -2.491 0.320 1.00 0.00 N ATOM 388 CA SER A 25 3.649 -3.522 1.057 1.00 0.00 C ATOM 389 C SER A 25 5.028 -3.040 1.445 1.00 0.00 C ATOM 390 O SER A 25 5.886 -2.797 0.592 1.00 0.00 O ATOM 391 CB SER A 25 3.682 -4.817 0.222 1.00 0.00 C ATOM 392 OG SER A 25 4.132 -5.955 0.950 1.00 0.00 O ATOM 0 H SER A 25 2.978 -2.644 -0.688 1.00 0.00 H new ATOM 0 HA SER A 25 3.105 -3.753 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.682 -5.016 -0.164 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.333 -4.667 -0.640 1.00 0.00 H new ATOM 0 HG SER A 25 4.127 -6.741 0.364 1.00 0.00 H new ATOM 398 N ILE A 26 5.189 -2.829 2.723 1.00 0.00 N ATOM 399 CA ILE A 26 6.419 -2.360 3.297 1.00 0.00 C ATOM 400 C ILE A 26 7.247 -3.552 3.693 1.00 0.00 C ATOM 401 O ILE A 26 6.798 -4.392 4.481 1.00 0.00 O ATOM 402 CB ILE A 26 6.141 -1.486 4.553 1.00 0.00 C ATOM 403 CG1 ILE A 26 5.226 -0.306 4.207 1.00 0.00 C ATOM 404 CG2 ILE A 26 7.429 -0.998 5.198 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.746 0.591 3.110 1.00 0.00 C ATOM 0 H ILE A 26 4.450 -2.982 3.410 1.00 0.00 H new ATOM 0 HA ILE A 26 6.949 -1.752 2.564 1.00 0.00 H new ATOM 0 HB ILE A 26 5.630 -2.117 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.251 -0.694 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.071 0.292 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.191 -0.391 6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.030 -1.854 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.990 -0.398 4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.035 1.398 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.706 1.012 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.873 0.011 2.196 1.00 0.00 H new ATOM 417 N GLU A 27 8.401 -3.663 3.125 1.00 0.00 N ATOM 418 CA GLU A 27 9.282 -4.740 3.417 1.00 0.00 C ATOM 419 C GLU A 27 10.535 -4.247 4.109 1.00 0.00 C ATOM 420 O GLU A 27 11.056 -3.200 3.782 1.00 0.00 O ATOM 421 CB GLU A 27 9.577 -5.520 2.142 1.00 0.00 C ATOM 422 CG GLU A 27 10.667 -6.543 2.257 1.00 0.00 C ATOM 423 CD GLU A 27 10.625 -7.548 1.141 1.00 0.00 C ATOM 424 OE1 GLU A 27 9.561 -8.195 0.941 1.00 0.00 O ATOM 425 OE2 GLU A 27 11.614 -7.708 0.426 1.00 0.00 O ATOM 0 H GLU A 27 8.761 -3.001 2.438 1.00 0.00 H new ATOM 0 HA GLU A 27 8.801 -5.423 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.663 -6.021 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.845 -4.813 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.635 -6.041 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.578 -7.060 3.212 1.00 0.00 H new ATOM 432 N HIS A 28 10.968 -4.982 5.089 1.00 0.00 N ATOM 433 CA HIS A 28 12.138 -4.635 5.863 1.00 0.00 C ATOM 434 C HIS A 28 13.253 -5.599 5.527 1.00 0.00 C ATOM 435 O HIS A 28 13.109 -6.804 5.701 1.00 0.00 O ATOM 436 CB HIS A 28 11.830 -4.695 7.369 1.00 0.00 C ATOM 437 CG HIS A 28 10.680 -3.821 7.792 1.00 0.00 C ATOM 438 ND1 HIS A 28 9.640 -4.239 8.599 1.00 0.00 N ATOM 439 CD2 HIS A 28 10.430 -2.526 7.509 1.00 0.00 C ATOM 440 CE1 HIS A 28 8.813 -3.214 8.775 1.00 0.00 C ATOM 441 NE2 HIS A 28 9.247 -2.139 8.136 1.00 0.00 N ATOM 0 H HIS A 28 10.519 -5.850 5.382 1.00 0.00 H new ATOM 0 HA HIS A 28 12.440 -3.617 5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.610 -5.727 7.644 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.721 -4.400 7.924 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.049 -1.890 6.894 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.907 -3.253 9.362 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.807 -1.219 8.108 1.00 0.00 H new ATOM 449 N LYS A 29 14.324 -5.086 5.008 1.00 0.00 N ATOM 450 CA LYS A 29 15.463 -5.878 4.628 1.00 0.00 C ATOM 451 C LYS A 29 16.692 -5.389 5.339 1.00 0.00 C ATOM 452 O LYS A 29 16.869 -4.202 5.500 1.00 0.00 O ATOM 453 CB LYS A 29 15.671 -5.739 3.132 1.00 0.00 C ATOM 454 CG LYS A 29 14.753 -6.573 2.259 1.00 0.00 C ATOM 455 CD LYS A 29 15.303 -7.954 2.008 1.00 0.00 C ATOM 456 CE LYS A 29 16.592 -7.892 1.180 1.00 0.00 C ATOM 457 NZ LYS A 29 17.205 -9.218 0.996 1.00 0.00 N ATOM 0 H LYS A 29 14.438 -4.088 4.831 1.00 0.00 H new ATOM 0 HA LYS A 29 15.287 -6.920 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.545 -4.690 2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.702 -6.005 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 29 13.776 -6.654 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.601 -6.066 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.501 -8.448 2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.560 -8.556 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.374 -7.457 0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.305 -7.230 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.073 -9.124 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.439 -9.624 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.537 -9.844 0.503 1.00 0.00 H new ATOM 471 N HIS A 30 17.506 -6.287 5.789 1.00 0.00 N ATOM 472 CA HIS A 30 18.776 -5.922 6.367 1.00 0.00 C ATOM 473 C HIS A 30 19.883 -6.588 5.583 1.00 0.00 C ATOM 474 O HIS A 30 19.970 -7.822 5.536 1.00 0.00 O ATOM 475 CB HIS A 30 18.870 -6.223 7.896 1.00 0.00 C ATOM 476 CG HIS A 30 18.692 -7.663 8.328 1.00 0.00 C ATOM 477 ND1 HIS A 30 19.726 -8.568 8.427 1.00 0.00 N ATOM 478 CD2 HIS A 30 17.579 -8.330 8.720 1.00 0.00 C ATOM 479 CE1 HIS A 30 19.237 -9.718 8.864 1.00 0.00 C ATOM 480 NE2 HIS A 30 17.930 -9.639 9.063 1.00 0.00 N ATOM 0 H HIS A 30 17.320 -7.290 5.771 1.00 0.00 H new ATOM 0 HA HIS A 30 18.883 -4.840 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 30 19.843 -5.882 8.249 1.00 0.00 H new ATOM 0 HB3 HIS A 30 18.118 -5.621 8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.582 -7.917 8.761 1.00 0.00 H new ATOM 0 HE1 HIS A 30 19.827 -10.606 9.036 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.310 -10.377 9.396 1.00 0.00 H new ATOM 488 N GLU A 31 20.674 -5.808 4.908 1.00 0.00 N ATOM 489 CA GLU A 31 21.730 -6.374 4.129 1.00 0.00 C ATOM 490 C GLU A 31 23.047 -5.716 4.392 1.00 0.00 C ATOM 491 O GLU A 31 23.131 -4.509 4.559 1.00 0.00 O ATOM 492 CB GLU A 31 21.388 -6.390 2.644 1.00 0.00 C ATOM 493 CG GLU A 31 21.125 -5.058 1.994 1.00 0.00 C ATOM 494 CD GLU A 31 20.619 -5.263 0.591 1.00 0.00 C ATOM 495 OE1 GLU A 31 19.413 -5.556 0.418 1.00 0.00 O ATOM 496 OE2 GLU A 31 21.417 -5.187 -0.362 1.00 0.00 O ATOM 0 H GLU A 31 20.609 -4.790 4.881 1.00 0.00 H new ATOM 0 HA GLU A 31 21.834 -7.411 4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 31 22.208 -6.872 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.506 -7.016 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.393 -4.498 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.039 -4.465 1.977 1.00 0.00 H new ATOM 503 N LYS A 32 24.052 -6.525 4.486 1.00 0.00 N ATOM 504 CA LYS A 32 25.381 -6.082 4.657 1.00 0.00 C ATOM 505 C LYS A 32 26.033 -6.006 3.328 1.00 0.00 C ATOM 506 O LYS A 32 26.235 -7.027 2.658 1.00 0.00 O ATOM 507 CB LYS A 32 26.177 -7.004 5.556 1.00 0.00 C ATOM 508 CG LYS A 32 25.766 -6.982 7.008 1.00 0.00 C ATOM 509 CD LYS A 32 26.655 -7.861 7.878 1.00 0.00 C ATOM 510 CE LYS A 32 26.874 -9.225 7.262 1.00 0.00 C ATOM 511 NZ LYS A 32 27.529 -10.156 8.202 1.00 0.00 N ATOM 0 H LYS A 32 23.959 -7.540 4.444 1.00 0.00 H new ATOM 0 HA LYS A 32 25.354 -5.102 5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.083 -8.023 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 32 27.231 -6.735 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.801 -5.957 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 32 24.732 -7.317 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.617 -7.371 8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.201 -7.976 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 32 25.916 -9.640 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.486 -9.124 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 27.661 -11.079 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 28.455 -9.773 8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 26.933 -10.273 9.047 1.00 0.00 H new ATOM 525 N VAL A 33 26.336 -4.835 2.934 1.00 0.00 N ATOM 526 CA VAL A 33 26.945 -4.608 1.659 1.00 0.00 C ATOM 527 C VAL A 33 28.320 -3.947 1.814 1.00 0.00 C ATOM 528 O VAL A 33 28.479 -3.056 2.612 1.00 0.00 O ATOM 529 CB VAL A 33 25.985 -3.830 0.714 1.00 0.00 C ATOM 530 CG1 VAL A 33 25.234 -2.746 1.437 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.722 -3.264 -0.441 1.00 0.00 C ATOM 0 H VAL A 33 26.173 -3.989 3.481 1.00 0.00 H new ATOM 0 HA VAL A 33 27.127 -5.570 1.180 1.00 0.00 H new ATOM 0 HB VAL A 33 25.252 -4.548 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.576 -2.230 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.639 -3.187 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.942 -2.034 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 33 26.028 -2.725 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 33 27.490 -2.579 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.190 -4.071 -1.005 1.00 0.00 H new ATOM 541 N PHE A 34 29.305 -4.408 1.062 1.00 0.00 N ATOM 542 CA PHE A 34 30.674 -3.940 1.216 1.00 0.00 C ATOM 543 C PHE A 34 30.901 -2.562 0.612 1.00 0.00 C ATOM 544 O PHE A 34 31.843 -1.863 0.997 1.00 0.00 O ATOM 545 CB PHE A 34 31.659 -4.934 0.621 1.00 0.00 C ATOM 546 CG PHE A 34 31.572 -6.314 1.186 1.00 0.00 C ATOM 547 CD1 PHE A 34 31.797 -6.542 2.530 1.00 0.00 C ATOM 548 CD2 PHE A 34 31.264 -7.388 0.370 1.00 0.00 C ATOM 549 CE1 PHE A 34 31.715 -7.815 3.051 1.00 0.00 C ATOM 550 CE2 PHE A 34 31.183 -8.662 0.882 1.00 0.00 C ATOM 551 CZ PHE A 34 31.410 -8.877 2.226 1.00 0.00 C ATOM 0 H PHE A 34 29.182 -5.111 0.333 1.00 0.00 H new ATOM 0 HA PHE A 34 30.847 -3.856 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.496 -4.986 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.671 -4.557 0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 34 32.040 -5.714 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 34 31.085 -7.224 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 34 31.889 -7.981 4.104 1.00 0.00 H new ATOM 0 HE2 PHE A 34 30.942 -9.492 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 34 31.349 -9.876 2.631 1.00 0.00 H new ATOM 561 N SER A 35 30.068 -2.186 -0.324 1.00 0.00 N ATOM 562 CA SER A 35 30.154 -0.885 -0.947 1.00 0.00 C ATOM 563 C SER A 35 28.765 -0.414 -1.259 1.00 0.00 C ATOM 564 O SER A 35 28.028 -1.097 -1.969 1.00 0.00 O ATOM 565 CB SER A 35 30.984 -0.950 -2.241 1.00 0.00 C ATOM 566 OG SER A 35 31.072 0.317 -2.888 1.00 0.00 O ATOM 0 H SER A 35 29.311 -2.771 -0.677 1.00 0.00 H new ATOM 0 HA SER A 35 30.647 -0.192 -0.265 1.00 0.00 H new ATOM 0 HB2 SER A 35 31.987 -1.308 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 35 30.536 -1.674 -2.922 1.00 0.00 H new ATOM 0 HG SER A 35 32.002 0.490 -3.144 1.00 0.00 H new ATOM 572 N MET A 36 28.410 0.753 -0.756 1.00 0.00 N ATOM 573 CA MET A 36 27.089 1.337 -0.977 1.00 0.00 C ATOM 574 C MET A 36 26.794 1.474 -2.447 1.00 0.00 C ATOM 575 O MET A 36 25.668 1.306 -2.869 1.00 0.00 O ATOM 576 CB MET A 36 26.957 2.697 -0.287 1.00 0.00 C ATOM 577 CG MET A 36 26.735 2.622 1.205 1.00 0.00 C ATOM 578 SD MET A 36 25.092 3.200 1.682 1.00 0.00 S ATOM 579 CE MET A 36 24.049 2.122 0.701 1.00 0.00 C ATOM 0 H MET A 36 29.026 1.328 -0.181 1.00 0.00 H new ATOM 0 HA MET A 36 26.359 0.657 -0.538 1.00 0.00 H new ATOM 0 HB2 MET A 36 27.860 3.277 -0.479 1.00 0.00 H new ATOM 0 HB3 MET A 36 26.127 3.241 -0.738 1.00 0.00 H new ATOM 0 HG2 MET A 36 26.867 1.593 1.539 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.490 3.221 1.713 1.00 0.00 H new ATOM 0 HE1 MET A 36 23.002 2.335 0.915 1.00 0.00 H new ATOM 0 HE2 MET A 36 24.245 2.291 -0.358 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.265 1.083 0.948 1.00 0.00 H new ATOM 589 N ASP A 37 27.832 1.688 -3.216 1.00 0.00 N ATOM 590 CA ASP A 37 27.726 1.865 -4.668 1.00 0.00 C ATOM 591 C ASP A 37 27.170 0.601 -5.325 1.00 0.00 C ATOM 592 O ASP A 37 26.345 0.662 -6.236 1.00 0.00 O ATOM 593 CB ASP A 37 29.092 2.216 -5.257 1.00 0.00 C ATOM 594 CG ASP A 37 29.013 2.629 -6.707 1.00 0.00 C ATOM 595 OD1 ASP A 37 28.763 3.824 -6.982 1.00 0.00 O ATOM 596 OD2 ASP A 37 29.221 1.774 -7.604 1.00 0.00 O ATOM 0 H ASP A 37 28.787 1.747 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 37 27.037 2.686 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 37 29.536 3.025 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 37 29.755 1.356 -5.164 1.00 0.00 H new ATOM 601 N ASP A 38 27.567 -0.539 -4.793 1.00 0.00 N ATOM 602 CA ASP A 38 27.125 -1.846 -5.301 1.00 0.00 C ATOM 603 C ASP A 38 25.657 -2.062 -4.932 1.00 0.00 C ATOM 604 O ASP A 38 24.894 -2.705 -5.661 1.00 0.00 O ATOM 605 CB ASP A 38 27.976 -2.949 -4.683 1.00 0.00 C ATOM 606 CG ASP A 38 27.740 -4.314 -5.283 1.00 0.00 C ATOM 607 OD1 ASP A 38 28.322 -4.623 -6.332 1.00 0.00 O ATOM 608 OD2 ASP A 38 26.997 -5.124 -4.689 1.00 0.00 O ATOM 0 H ASP A 38 28.203 -0.597 -3.998 1.00 0.00 H new ATOM 0 HA ASP A 38 27.235 -1.872 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 38 29.028 -2.690 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.774 -2.994 -3.613 1.00 0.00 H new ATOM 613 N PHE A 39 25.276 -1.502 -3.793 1.00 0.00 N ATOM 614 CA PHE A 39 23.916 -1.532 -3.305 1.00 0.00 C ATOM 615 C PHE A 39 23.035 -0.633 -4.182 1.00 0.00 C ATOM 616 O PHE A 39 21.914 -1.002 -4.532 1.00 0.00 O ATOM 617 CB PHE A 39 23.896 -1.064 -1.839 1.00 0.00 C ATOM 618 CG PHE A 39 22.540 -0.924 -1.213 1.00 0.00 C ATOM 619 CD1 PHE A 39 21.840 0.246 -1.344 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.980 -1.950 -0.471 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.615 0.403 -0.760 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.743 -1.798 0.117 1.00 0.00 C ATOM 623 CZ PHE A 39 20.063 -0.615 -0.031 1.00 0.00 C ATOM 0 H PHE A 39 25.919 -1.007 -3.175 1.00 0.00 H new ATOM 0 HA PHE A 39 23.522 -2.547 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.478 -1.769 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 39 24.404 -0.101 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 39 22.263 1.057 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.518 -2.879 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.080 1.334 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.311 -2.605 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.093 -0.488 0.427 1.00 0.00 H new ATOM 633 N TRP A 40 23.559 0.536 -4.550 1.00 0.00 N ATOM 634 CA TRP A 40 22.823 1.468 -5.402 1.00 0.00 C ATOM 635 C TRP A 40 22.572 0.855 -6.747 1.00 0.00 C ATOM 636 O TRP A 40 21.515 1.003 -7.304 1.00 0.00 O ATOM 637 CB TRP A 40 23.542 2.821 -5.561 1.00 0.00 C ATOM 638 CG TRP A 40 23.792 3.528 -4.264 1.00 0.00 C ATOM 639 CD1 TRP A 40 24.964 4.075 -3.846 1.00 0.00 C ATOM 640 CD2 TRP A 40 22.858 3.737 -3.204 1.00 0.00 C ATOM 641 NE1 TRP A 40 24.823 4.589 -2.585 1.00 0.00 N ATOM 642 CE2 TRP A 40 23.541 4.399 -2.175 1.00 0.00 C ATOM 643 CE3 TRP A 40 21.514 3.429 -3.021 1.00 0.00 C ATOM 644 CZ2 TRP A 40 22.928 4.745 -0.992 1.00 0.00 C ATOM 645 CZ3 TRP A 40 20.910 3.778 -1.845 1.00 0.00 C ATOM 646 CH2 TRP A 40 21.613 4.424 -0.847 1.00 0.00 C ATOM 0 H TRP A 40 24.486 0.859 -4.273 1.00 0.00 H new ATOM 0 HA TRP A 40 21.872 1.667 -4.908 1.00 0.00 H new ATOM 0 HB2 TRP A 40 24.495 2.659 -6.065 1.00 0.00 H new ATOM 0 HB3 TRP A 40 22.945 3.466 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 40 25.875 4.100 -4.425 1.00 0.00 H new ATOM 0 HE1 TRP A 40 25.559 5.040 -2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 40 20.957 2.922 -3.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 23.470 5.252 -0.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 19.866 3.545 -1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 40 21.107 4.681 0.072 1.00 0.00 H new ATOM 657 N ALA A 41 23.541 0.129 -7.237 1.00 0.00 N ATOM 658 CA ALA A 41 23.407 -0.550 -8.510 1.00 0.00 C ATOM 659 C ALA A 41 22.409 -1.696 -8.396 1.00 0.00 C ATOM 660 O ALA A 41 21.663 -1.977 -9.332 1.00 0.00 O ATOM 661 CB ALA A 41 24.758 -1.042 -9.001 1.00 0.00 C ATOM 0 H ALA A 41 24.439 -0.011 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 41 23.026 0.159 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.635 -1.549 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 41 25.432 -0.194 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 41 25.178 -1.737 -8.274 1.00 0.00 H new ATOM 667 N ALA A 42 22.374 -2.317 -7.233 1.00 0.00 N ATOM 668 CA ALA A 42 21.453 -3.415 -6.964 1.00 0.00 C ATOM 669 C ALA A 42 19.984 -2.943 -6.949 1.00 0.00 C ATOM 670 O ALA A 42 19.096 -3.635 -7.449 1.00 0.00 O ATOM 671 CB ALA A 42 21.811 -4.085 -5.642 1.00 0.00 C ATOM 0 H ALA A 42 22.979 -2.079 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 42 21.553 -4.139 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.118 -4.904 -5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.827 -4.475 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 21.744 -3.356 -4.835 1.00 0.00 H new ATOM 677 N TYR A 43 19.737 -1.778 -6.385 1.00 0.00 N ATOM 678 CA TYR A 43 18.378 -1.249 -6.273 1.00 0.00 C ATOM 679 C TYR A 43 18.163 -0.042 -7.171 1.00 0.00 C ATOM 680 O TYR A 43 17.204 0.691 -6.986 1.00 0.00 O ATOM 681 CB TYR A 43 18.076 -0.878 -4.813 1.00 0.00 C ATOM 682 CG TYR A 43 17.969 -2.068 -3.876 1.00 0.00 C ATOM 683 CD1 TYR A 43 19.094 -2.706 -3.366 1.00 0.00 C ATOM 684 CD2 TYR A 43 16.731 -2.559 -3.519 1.00 0.00 C ATOM 685 CE1 TYR A 43 18.971 -3.804 -2.538 1.00 0.00 C ATOM 686 CE2 TYR A 43 16.599 -3.643 -2.691 1.00 0.00 C ATOM 687 CZ TYR A 43 17.716 -4.266 -2.205 1.00 0.00 C ATOM 688 OH TYR A 43 17.574 -5.370 -1.393 1.00 0.00 O ATOM 0 H TYR A 43 20.458 -1.172 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 43 17.693 -2.031 -6.601 1.00 0.00 H new ATOM 0 HB2 TYR A 43 18.860 -0.213 -4.450 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.142 -0.318 -4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 43 20.077 -2.338 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.843 -2.077 -3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 43 19.852 -4.297 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.617 -4.004 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 43 18.149 -5.273 -0.605 1.00 0.00 H new ATOM 698 N ALA A 44 19.044 0.137 -8.154 1.00 0.00 N ATOM 699 CA ALA A 44 18.973 1.253 -9.118 1.00 0.00 C ATOM 700 C ALA A 44 17.592 1.432 -9.774 1.00 0.00 C ATOM 701 O ALA A 44 17.220 2.549 -10.153 1.00 0.00 O ATOM 702 CB ALA A 44 20.033 1.086 -10.197 1.00 0.00 C ATOM 0 H ALA A 44 19.835 -0.488 -8.312 1.00 0.00 H new ATOM 0 HA ALA A 44 19.157 2.156 -8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 44 19.969 1.916 -10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 44 21.021 1.075 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 44 19.869 0.147 -10.726 1.00 0.00 H new ATOM 708 N GLY A 45 16.853 0.348 -9.911 1.00 0.00 N ATOM 709 CA GLY A 45 15.551 0.411 -10.528 1.00 0.00 C ATOM 710 C GLY A 45 14.464 0.896 -9.583 1.00 0.00 C ATOM 711 O GLY A 45 13.430 1.363 -10.028 1.00 0.00 O ATOM 0 H GLY A 45 17.135 -0.583 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.597 1.076 -11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.285 -0.578 -10.901 1.00 0.00 H new ATOM 715 N TRP A 46 14.654 0.717 -8.287 1.00 0.00 N ATOM 716 CA TRP A 46 13.711 1.212 -7.298 1.00 0.00 C ATOM 717 C TRP A 46 13.856 2.738 -7.194 1.00 0.00 C ATOM 718 O TRP A 46 14.894 3.294 -7.545 1.00 0.00 O ATOM 719 CB TRP A 46 14.015 0.621 -5.908 1.00 0.00 C ATOM 720 CG TRP A 46 14.016 -0.867 -5.776 1.00 0.00 C ATOM 721 CD1 TRP A 46 14.920 -1.728 -6.292 1.00 0.00 C ATOM 722 CD2 TRP A 46 13.103 -1.655 -5.024 1.00 0.00 C ATOM 723 NE1 TRP A 46 14.602 -3.012 -5.950 1.00 0.00 N ATOM 724 CE2 TRP A 46 13.492 -2.999 -5.167 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.986 -1.359 -4.261 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.794 -4.043 -4.571 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.292 -2.392 -3.679 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.704 -3.718 -3.837 1.00 0.00 C ATOM 0 H TRP A 46 15.458 0.229 -7.893 1.00 0.00 H new ATOM 0 HA TRP A 46 12.706 0.925 -7.607 1.00 0.00 H new ATOM 0 HB2 TRP A 46 14.992 0.987 -5.593 1.00 0.00 H new ATOM 0 HB3 TRP A 46 13.284 1.020 -5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 46 15.773 -1.442 -6.890 1.00 0.00 H new ATOM 0 HE1 TRP A 46 15.115 -3.846 -6.236 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.667 -0.336 -4.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.108 -5.070 -4.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.413 -2.176 -3.089 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.138 -4.505 -3.361 1.00 0.00 H new ATOM 739 N THR A 47 12.840 3.400 -6.719 1.00 0.00 N ATOM 740 CA THR A 47 12.882 4.805 -6.501 1.00 0.00 C ATOM 741 C THR A 47 13.418 5.064 -5.086 1.00 0.00 C ATOM 742 O THR A 47 12.833 4.590 -4.102 1.00 0.00 O ATOM 743 CB THR A 47 11.463 5.370 -6.612 1.00 0.00 C ATOM 744 OG1 THR A 47 10.888 4.995 -7.873 1.00 0.00 O ATOM 745 CG2 THR A 47 11.458 6.875 -6.469 1.00 0.00 C ATOM 0 H THR A 47 11.950 2.967 -6.471 1.00 0.00 H new ATOM 0 HA THR A 47 13.526 5.283 -7.239 1.00 0.00 H new ATOM 0 HB THR A 47 10.866 4.953 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.980 5.357 -7.939 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.436 7.245 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.865 7.149 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.069 7.317 -7.256 1.00 0.00 H new ATOM 753 N LEU A 48 14.534 5.757 -4.992 1.00 0.00 N ATOM 754 CA LEU A 48 15.132 6.088 -3.711 1.00 0.00 C ATOM 755 C LEU A 48 14.321 7.207 -3.084 1.00 0.00 C ATOM 756 O LEU A 48 14.294 8.318 -3.602 1.00 0.00 O ATOM 757 CB LEU A 48 16.631 6.482 -3.927 1.00 0.00 C ATOM 758 CG LEU A 48 17.552 6.741 -2.690 1.00 0.00 C ATOM 759 CD1 LEU A 48 17.317 8.087 -2.035 1.00 0.00 C ATOM 760 CD2 LEU A 48 17.404 5.645 -1.660 1.00 0.00 C ATOM 0 H LEU A 48 15.052 6.107 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 48 15.119 5.236 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.094 5.691 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.645 7.385 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 48 18.570 6.744 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.989 8.200 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.508 8.881 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.284 8.149 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.056 5.852 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.369 5.602 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 17.680 4.689 -2.104 1.00 0.00 H new ATOM 772 N VAL A 49 13.627 6.905 -2.011 1.00 0.00 N ATOM 773 CA VAL A 49 12.806 7.898 -1.361 1.00 0.00 C ATOM 774 C VAL A 49 13.643 8.662 -0.353 1.00 0.00 C ATOM 775 O VAL A 49 13.635 9.899 -0.323 1.00 0.00 O ATOM 776 CB VAL A 49 11.519 7.287 -0.712 1.00 0.00 C ATOM 777 CG1 VAL A 49 10.685 8.365 -0.037 1.00 0.00 C ATOM 778 CG2 VAL A 49 10.698 6.594 -1.779 1.00 0.00 C ATOM 0 H VAL A 49 13.615 5.984 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 49 12.445 8.592 -2.120 1.00 0.00 H new ATOM 0 HB VAL A 49 11.821 6.566 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.797 7.914 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.275 8.846 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.385 9.108 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.801 6.168 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.412 7.316 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.289 5.799 -2.233 1.00 0.00 H new ATOM 788 N GLU A 50 14.400 7.939 0.440 1.00 0.00 N ATOM 789 CA GLU A 50 15.306 8.561 1.378 1.00 0.00 C ATOM 790 C GLU A 50 16.369 7.582 1.770 1.00 0.00 C ATOM 791 O GLU A 50 16.223 6.379 1.564 1.00 0.00 O ATOM 792 CB GLU A 50 14.605 9.065 2.652 1.00 0.00 C ATOM 793 CG GLU A 50 13.993 7.981 3.505 1.00 0.00 C ATOM 794 CD GLU A 50 13.594 8.472 4.862 1.00 0.00 C ATOM 795 OE1 GLU A 50 12.462 8.979 5.028 1.00 0.00 O ATOM 796 OE2 GLU A 50 14.413 8.367 5.800 1.00 0.00 O ATOM 0 H GLU A 50 14.406 6.919 0.454 1.00 0.00 H new ATOM 0 HA GLU A 50 15.733 9.428 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.327 9.618 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.823 9.769 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.118 7.575 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.706 7.164 3.614 1.00 0.00 H new ATOM 803 N GLN A 51 17.431 8.089 2.280 1.00 0.00 N ATOM 804 CA GLN A 51 18.472 7.302 2.837 1.00 0.00 C ATOM 805 C GLN A 51 19.107 8.022 3.998 1.00 0.00 C ATOM 806 O GLN A 51 19.268 9.242 3.976 1.00 0.00 O ATOM 807 CB GLN A 51 19.509 6.940 1.796 1.00 0.00 C ATOM 808 CG GLN A 51 20.150 8.112 1.085 1.00 0.00 C ATOM 809 CD GLN A 51 21.214 7.648 0.149 1.00 0.00 C ATOM 810 OE1 GLN A 51 22.388 7.559 0.506 1.00 0.00 O ATOM 811 NE2 GLN A 51 20.814 7.277 -1.031 1.00 0.00 N ATOM 0 H GLN A 51 17.606 9.093 2.323 1.00 0.00 H new ATOM 0 HA GLN A 51 18.035 6.372 3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.293 6.355 2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.042 6.296 1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 51 19.391 8.667 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.577 8.797 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.831 7.367 -1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.483 6.896 -1.700 1.00 0.00 H new ATOM 820 N LYS A 52 19.405 7.277 5.009 1.00 0.00 N ATOM 821 CA LYS A 52 20.079 7.753 6.168 1.00 0.00 C ATOM 822 C LYS A 52 20.970 6.674 6.733 1.00 0.00 C ATOM 823 O LYS A 52 20.510 5.817 7.477 1.00 0.00 O ATOM 824 CB LYS A 52 19.121 8.310 7.243 1.00 0.00 C ATOM 825 CG LYS A 52 17.880 7.473 7.567 1.00 0.00 C ATOM 826 CD LYS A 52 17.176 8.043 8.798 1.00 0.00 C ATOM 827 CE LYS A 52 15.860 7.349 9.146 1.00 0.00 C ATOM 828 NZ LYS A 52 14.718 7.848 8.347 1.00 0.00 N ATOM 0 H LYS A 52 19.177 6.284 5.051 1.00 0.00 H new ATOM 0 HA LYS A 52 20.695 8.596 5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.688 8.447 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.790 9.298 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.199 7.472 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.166 6.437 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.849 7.971 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.982 9.103 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.967 6.276 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.647 7.494 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.898 7.224 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.475 8.812 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.977 7.859 7.340 1.00 0.00 H new ATOM 842 N LYS A 53 22.228 6.723 6.307 1.00 0.00 N ATOM 843 CA LYS A 53 23.330 5.855 6.690 1.00 0.00 C ATOM 844 C LYS A 53 22.995 4.365 6.760 1.00 0.00 C ATOM 845 O LYS A 53 23.267 3.606 5.833 1.00 0.00 O ATOM 846 CB LYS A 53 23.983 6.403 7.971 1.00 0.00 C ATOM 847 CG LYS A 53 25.421 5.988 8.197 1.00 0.00 C ATOM 848 CD LYS A 53 25.563 4.543 8.590 1.00 0.00 C ATOM 849 CE LYS A 53 27.007 4.145 8.661 1.00 0.00 C ATOM 850 NZ LYS A 53 27.169 2.759 9.131 1.00 0.00 N ATOM 0 H LYS A 53 22.524 7.428 5.631 1.00 0.00 H new ATOM 0 HA LYS A 53 24.058 5.883 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.937 7.492 7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 53 23.391 6.080 8.827 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.992 6.169 7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 53 25.856 6.615 8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.088 4.377 9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 53 25.044 3.913 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.462 4.251 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.538 4.821 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 28.181 2.521 9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.757 2.664 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.684 2.112 8.477 1.00 0.00 H new ATOM 864 N GLY A 54 22.420 3.987 7.841 1.00 0.00 N ATOM 865 CA GLY A 54 22.133 2.615 8.111 1.00 0.00 C ATOM 866 C GLY A 54 20.803 2.171 7.575 1.00 0.00 C ATOM 867 O GLY A 54 20.549 0.986 7.492 1.00 0.00 O ATOM 0 H GLY A 54 22.128 4.627 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.917 1.995 7.677 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.156 2.451 9.188 1.00 0.00 H new ATOM 871 N TYR A 55 19.941 3.096 7.231 1.00 0.00 N ATOM 872 CA TYR A 55 18.660 2.751 6.703 1.00 0.00 C ATOM 873 C TYR A 55 18.430 3.439 5.368 1.00 0.00 C ATOM 874 O TYR A 55 18.732 4.612 5.211 1.00 0.00 O ATOM 875 CB TYR A 55 17.584 3.112 7.740 1.00 0.00 C ATOM 876 CG TYR A 55 16.211 3.394 7.181 1.00 0.00 C ATOM 877 CD1 TYR A 55 15.288 2.395 6.939 1.00 0.00 C ATOM 878 CD2 TYR A 55 15.855 4.687 6.909 1.00 0.00 C ATOM 879 CE1 TYR A 55 14.041 2.701 6.438 1.00 0.00 C ATOM 880 CE2 TYR A 55 14.629 5.011 6.411 1.00 0.00 C ATOM 881 CZ TYR A 55 13.715 4.014 6.173 1.00 0.00 C ATOM 882 OH TYR A 55 12.457 4.330 5.690 1.00 0.00 O ATOM 0 H TYR A 55 20.113 4.098 7.311 1.00 0.00 H new ATOM 0 HA TYR A 55 18.607 1.679 6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 55 17.505 2.293 8.455 1.00 0.00 H new ATOM 0 HB3 TYR A 55 17.918 3.989 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 55 15.546 1.366 7.144 1.00 0.00 H new ATOM 0 HD2 TYR A 55 16.569 5.476 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.323 1.916 6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.378 6.041 6.206 1.00 0.00 H new ATOM 0 HH TYR A 55 11.841 3.591 5.874 1.00 0.00 H new ATOM 892 N VAL A 56 17.903 2.713 4.426 1.00 0.00 N ATOM 893 CA VAL A 56 17.604 3.236 3.119 1.00 0.00 C ATOM 894 C VAL A 56 16.166 2.872 2.755 1.00 0.00 C ATOM 895 O VAL A 56 15.725 1.769 3.014 1.00 0.00 O ATOM 896 CB VAL A 56 18.599 2.698 2.038 1.00 0.00 C ATOM 897 CG1 VAL A 56 18.171 3.132 0.660 1.00 0.00 C ATOM 898 CG2 VAL A 56 20.010 3.210 2.295 1.00 0.00 C ATOM 0 H VAL A 56 17.665 1.728 4.542 1.00 0.00 H new ATOM 0 HA VAL A 56 17.716 4.320 3.143 1.00 0.00 H new ATOM 0 HB VAL A 56 18.592 1.610 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.876 2.748 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.175 2.742 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.152 4.221 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.683 2.822 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 56 20.013 4.300 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.345 2.875 3.277 1.00 0.00 H new ATOM 908 N LEU A 57 15.450 3.807 2.211 1.00 0.00 N ATOM 909 CA LEU A 57 14.091 3.607 1.803 1.00 0.00 C ATOM 910 C LEU A 57 13.956 3.674 0.272 1.00 0.00 C ATOM 911 O LEU A 57 14.220 4.729 -0.353 1.00 0.00 O ATOM 912 CB LEU A 57 13.212 4.651 2.497 1.00 0.00 C ATOM 913 CG LEU A 57 11.801 4.838 1.959 1.00 0.00 C ATOM 914 CD1 LEU A 57 11.001 3.603 1.990 1.00 0.00 C ATOM 915 CD2 LEU A 57 11.073 5.971 2.646 1.00 0.00 C ATOM 0 H LEU A 57 15.799 4.749 2.034 1.00 0.00 H new ATOM 0 HA LEU A 57 13.761 2.611 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.139 4.385 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.724 5.612 2.445 1.00 0.00 H new ATOM 0 HG LEU A 57 11.925 5.107 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.006 3.804 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.487 2.840 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.917 3.249 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.071 6.066 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.003 5.764 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.620 6.901 2.492 1.00 0.00 H new ATOM 927 N PHE A 58 13.559 2.547 -0.312 1.00 0.00 N ATOM 928 CA PHE A 58 13.336 2.397 -1.761 1.00 0.00 C ATOM 929 C PHE A 58 11.908 1.945 -2.057 1.00 0.00 C ATOM 930 O PHE A 58 11.318 1.202 -1.290 1.00 0.00 O ATOM 931 CB PHE A 58 14.288 1.352 -2.361 1.00 0.00 C ATOM 932 CG PHE A 58 15.601 1.863 -2.874 1.00 0.00 C ATOM 933 CD1 PHE A 58 15.650 2.568 -4.056 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.775 1.601 -2.218 1.00 0.00 C ATOM 935 CE1 PHE A 58 16.842 3.009 -4.577 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.975 2.044 -2.733 1.00 0.00 C ATOM 937 CZ PHE A 58 18.006 2.748 -3.914 1.00 0.00 C ATOM 0 H PHE A 58 13.378 1.691 0.212 1.00 0.00 H new ATOM 0 HA PHE A 58 13.519 3.375 -2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.489 0.597 -1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.773 0.851 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 58 14.732 2.779 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.760 1.044 -1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 58 16.858 3.559 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.895 1.837 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 58 18.948 3.093 -4.315 1.00 0.00 H new ATOM 947 N ARG A 59 11.358 2.382 -3.173 1.00 0.00 N ATOM 948 CA ARG A 59 10.042 1.922 -3.593 1.00 0.00 C ATOM 949 C ARG A 59 10.061 1.383 -5.014 1.00 0.00 C ATOM 950 O ARG A 59 10.784 1.879 -5.872 1.00 0.00 O ATOM 951 CB ARG A 59 8.954 2.999 -3.450 1.00 0.00 C ATOM 952 CG ARG A 59 9.148 4.231 -4.285 1.00 0.00 C ATOM 953 CD ARG A 59 7.982 5.171 -4.118 1.00 0.00 C ATOM 954 NE ARG A 59 7.685 5.443 -2.700 1.00 0.00 N ATOM 955 CZ ARG A 59 6.693 6.212 -2.252 1.00 0.00 C ATOM 956 NH1 ARG A 59 5.895 6.850 -3.102 1.00 0.00 N ATOM 957 NH2 ARG A 59 6.510 6.329 -0.949 1.00 0.00 N ATOM 0 H ARG A 59 11.797 3.052 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 59 9.786 1.109 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.992 2.555 -3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.898 3.297 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.071 4.732 -3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.252 3.954 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.198 6.109 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.101 4.743 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 59 8.289 5.006 -2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.039 6.753 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.139 7.436 -2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.124 5.835 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.755 6.914 -0.591 1.00 0.00 H new ATOM 971 N LYS A 60 9.289 0.368 -5.232 1.00 0.00 N ATOM 972 CA LYS A 60 9.113 -0.264 -6.528 1.00 0.00 C ATOM 973 C LYS A 60 7.631 -0.537 -6.652 1.00 0.00 C ATOM 974 O LYS A 60 7.039 -1.166 -5.772 1.00 0.00 O ATOM 975 CB LYS A 60 9.888 -1.587 -6.572 1.00 0.00 C ATOM 976 CG LYS A 60 9.802 -2.388 -7.856 1.00 0.00 C ATOM 977 CD LYS A 60 10.783 -1.916 -8.919 1.00 0.00 C ATOM 978 CE LYS A 60 12.240 -2.163 -8.511 1.00 0.00 C ATOM 979 NZ LYS A 60 13.144 -2.026 -9.665 1.00 0.00 N ATOM 0 H LYS A 60 8.737 -0.070 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 60 9.480 0.366 -7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.938 -1.372 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.533 -2.216 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.992 -3.439 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.788 -2.323 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.577 -2.433 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.634 -0.852 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.528 -1.456 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.337 -3.162 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.123 -1.927 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.068 -2.870 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.880 -1.184 -10.215 1.00 0.00 H new ATOM 993 N GLN A 61 7.019 -0.040 -7.673 1.00 0.00 N ATOM 994 CA GLN A 61 5.603 -0.190 -7.794 1.00 0.00 C ATOM 995 C GLN A 61 5.187 -0.944 -9.025 1.00 0.00 C ATOM 996 O GLN A 61 5.753 -0.767 -10.113 1.00 0.00 O ATOM 997 CB GLN A 61 4.899 1.145 -7.636 1.00 0.00 C ATOM 998 CG GLN A 61 5.332 2.234 -8.587 1.00 0.00 C ATOM 999 CD GLN A 61 4.878 3.585 -8.106 1.00 0.00 C ATOM 1000 OE1 GLN A 61 3.786 4.055 -8.426 1.00 0.00 O ATOM 1001 NE2 GLN A 61 5.722 4.220 -7.330 1.00 0.00 N ATOM 0 H GLN A 61 7.470 0.470 -8.432 1.00 0.00 H new ATOM 0 HA GLN A 61 5.276 -0.822 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.828 0.986 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.054 1.497 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.418 2.225 -8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.921 2.040 -9.578 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.616 3.792 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.485 5.142 -6.965 1.00 0.00 H new ATOM 1010 N MET A 62 4.213 -1.797 -8.828 1.00 0.00 N ATOM 1011 CA MET A 62 3.685 -2.659 -9.848 1.00 0.00 C ATOM 1012 C MET A 62 2.184 -2.481 -9.884 1.00 0.00 C ATOM 1013 O MET A 62 1.582 -2.032 -8.898 1.00 0.00 O ATOM 1014 CB MET A 62 4.028 -4.149 -9.579 1.00 0.00 C ATOM 1015 CG MET A 62 5.512 -4.542 -9.713 1.00 0.00 C ATOM 1016 SD MET A 62 6.615 -3.882 -8.425 1.00 0.00 S ATOM 1017 CE MET A 62 5.997 -4.697 -6.955 1.00 0.00 C ATOM 0 H MET A 62 3.754 -1.912 -7.925 1.00 0.00 H new ATOM 0 HA MET A 62 4.134 -2.390 -10.804 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.697 -4.400 -8.571 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.448 -4.764 -10.267 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.584 -5.630 -9.706 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.873 -4.204 -10.684 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.711 -4.570 -6.141 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.041 -4.258 -6.670 1.00 0.00 H new ATOM 0 HE3 MET A 62 5.862 -5.760 -7.157 1.00 0.00 H new ATOM 1027 N ASP A 63 1.581 -2.803 -10.992 1.00 0.00 N ATOM 1028 CA ASP A 63 0.150 -2.649 -11.149 1.00 0.00 C ATOM 1029 C ASP A 63 -0.574 -3.905 -10.714 1.00 0.00 C ATOM 1030 O ASP A 63 -0.749 -4.851 -11.501 1.00 0.00 O ATOM 1031 CB ASP A 63 -0.210 -2.287 -12.596 1.00 0.00 C ATOM 1032 CG ASP A 63 -1.696 -2.121 -12.815 1.00 0.00 C ATOM 1033 OD1 ASP A 63 -2.244 -1.059 -12.469 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -2.338 -3.045 -13.351 1.00 0.00 O ATOM 0 H ASP A 63 2.058 -3.178 -11.812 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.173 -1.829 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.297 -1.361 -12.869 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.165 -3.064 -13.262 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.945 -3.939 -9.451 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.639 -5.075 -8.853 1.00 0.00 C ATOM 1041 C ASP A 64 -2.141 -4.600 -7.494 1.00 0.00 C ATOM 1042 O ASP A 64 -2.059 -3.396 -7.194 1.00 0.00 O ATOM 1043 CB ASP A 64 -0.644 -6.253 -8.656 1.00 0.00 C ATOM 1044 CG ASP A 64 -1.294 -7.635 -8.589 1.00 0.00 C ATOM 1045 OD1 ASP A 64 -2.215 -7.862 -7.787 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -0.895 -8.516 -9.364 1.00 0.00 O ATOM 0 H ASP A 64 -0.774 -3.174 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.457 -5.420 -9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.075 -6.244 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.082 -6.086 -7.737 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.661 -5.493 -6.703 1.00 0.00 N ATOM 1052 CA ILE A 65 -3.075 -5.204 -5.344 1.00 0.00 C ATOM 1053 C ILE A 65 -2.180 -6.015 -4.416 1.00 0.00 C ATOM 1054 O ILE A 65 -1.386 -6.847 -4.901 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.559 -5.563 -5.079 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.795 -7.062 -5.278 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.478 -4.732 -5.967 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.230 -7.513 -5.067 1.00 0.00 C ATOM 0 H ILE A 65 -2.816 -6.462 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.981 -4.132 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.794 -5.325 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.488 -7.333 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.151 -7.611 -4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.516 -4.998 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.328 -3.673 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.248 -4.930 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.301 -8.589 -5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.539 -7.279 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.881 -6.996 -5.772 1.00 0.00 H new ATOM 1070 N SER A 66 -2.274 -5.793 -3.131 1.00 0.00 N ATOM 1071 CA SER A 66 -1.422 -6.483 -2.177 1.00 0.00 C ATOM 1072 C SER A 66 -1.629 -7.983 -2.178 1.00 0.00 C ATOM 1073 O SER A 66 -2.716 -8.485 -2.537 1.00 0.00 O ATOM 1074 CB SER A 66 -1.650 -5.958 -0.770 1.00 0.00 C ATOM 1075 OG SER A 66 -3.021 -5.948 -0.439 1.00 0.00 O ATOM 0 H SER A 66 -2.933 -5.137 -2.712 1.00 0.00 H new ATOM 0 HA SER A 66 -0.398 -6.283 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.107 -6.578 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.247 -4.949 -0.687 1.00 0.00 H new ATOM 0 HG SER A 66 -3.135 -5.607 0.473 1.00 0.00 H new ATOM 1081 N PRO A 67 -0.593 -8.740 -1.761 1.00 0.00 N ATOM 1082 CA PRO A 67 -0.696 -10.171 -1.582 1.00 0.00 C ATOM 1083 C PRO A 67 -1.800 -10.520 -0.567 1.00 0.00 C ATOM 1084 O PRO A 67 -2.352 -11.599 -0.600 1.00 0.00 O ATOM 1085 CB PRO A 67 0.689 -10.586 -1.043 1.00 0.00 C ATOM 1086 CG PRO A 67 1.346 -9.320 -0.615 1.00 0.00 C ATOM 1087 CD PRO A 67 0.784 -8.255 -1.496 1.00 0.00 C ATOM 0 HA PRO A 67 -0.959 -10.687 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.593 -11.280 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.274 -11.091 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.141 -9.108 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.429 -9.385 -0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.783 -7.282 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.359 -8.146 -2.416 1.00 0.00 H new ATOM 1095 N LEU A 68 -2.137 -9.574 0.297 1.00 0.00 N ATOM 1096 CA LEU A 68 -3.154 -9.781 1.287 1.00 0.00 C ATOM 1097 C LEU A 68 -4.544 -9.437 0.710 1.00 0.00 C ATOM 1098 O LEU A 68 -5.492 -10.157 0.951 1.00 0.00 O ATOM 1099 CB LEU A 68 -2.846 -8.957 2.550 1.00 0.00 C ATOM 1100 CG LEU A 68 -3.266 -9.570 3.912 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.773 -9.762 4.027 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -2.552 -10.896 4.132 1.00 0.00 C ATOM 0 H LEU A 68 -1.708 -8.649 0.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.164 -10.833 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.772 -8.771 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.335 -7.988 2.450 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.973 -8.861 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.012 -10.194 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.271 -8.798 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.116 -10.432 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.854 -11.317 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.816 -11.588 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.474 -10.733 4.131 1.00 0.00 H new ATOM 1114 N SER A 69 -4.655 -8.375 -0.087 1.00 0.00 N ATOM 1115 CA SER A 69 -5.951 -7.994 -0.682 1.00 0.00 C ATOM 1116 C SER A 69 -6.455 -9.124 -1.625 1.00 0.00 C ATOM 1117 O SER A 69 -7.654 -9.311 -1.842 1.00 0.00 O ATOM 1118 CB SER A 69 -5.832 -6.633 -1.419 1.00 0.00 C ATOM 1119 OG SER A 69 -7.088 -6.120 -1.834 1.00 0.00 O ATOM 0 H SER A 69 -3.877 -7.765 -0.338 1.00 0.00 H new ATOM 0 HA SER A 69 -6.689 -7.868 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.349 -5.910 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.188 -6.752 -2.290 1.00 0.00 H new ATOM 0 HG SER A 69 -7.074 -5.141 -1.785 1.00 0.00 H new ATOM 1125 N LYS A 70 -5.530 -9.920 -2.124 1.00 0.00 N ATOM 1126 CA LYS A 70 -5.887 -11.038 -2.965 1.00 0.00 C ATOM 1127 C LYS A 70 -6.160 -12.320 -2.163 1.00 0.00 C ATOM 1128 O LYS A 70 -6.461 -13.362 -2.734 1.00 0.00 O ATOM 1129 CB LYS A 70 -4.869 -11.251 -4.063 1.00 0.00 C ATOM 1130 CG LYS A 70 -3.461 -11.502 -3.596 1.00 0.00 C ATOM 1131 CD LYS A 70 -2.511 -11.554 -4.767 1.00 0.00 C ATOM 1132 CE LYS A 70 -2.454 -10.209 -5.505 1.00 0.00 C ATOM 1133 NZ LYS A 70 -1.525 -10.216 -6.647 1.00 0.00 N ATOM 0 H LYS A 70 -4.529 -9.811 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.831 -10.783 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.188 -12.097 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.868 -10.374 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.155 -10.714 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.418 -12.441 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.514 -11.820 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.826 -12.336 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.453 -9.953 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.154 -9.430 -4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.890 -9.592 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.592 -9.877 -6.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.436 -11.184 -7.016 1.00 0.00 H new ATOM 1147 N VAL A 71 -6.005 -12.256 -0.849 1.00 0.00 N ATOM 1148 CA VAL A 71 -6.418 -13.366 0.003 1.00 0.00 C ATOM 1149 C VAL A 71 -7.723 -12.974 0.695 1.00 0.00 C ATOM 1150 O VAL A 71 -8.686 -13.748 0.746 1.00 0.00 O ATOM 1151 CB VAL A 71 -5.330 -13.805 1.076 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -3.987 -13.946 0.455 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -5.239 -12.902 2.296 1.00 0.00 C ATOM 0 H VAL A 71 -5.603 -11.461 -0.353 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.552 -14.238 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.678 -14.772 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.265 -14.247 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.026 -14.702 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.684 -12.992 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.471 -13.279 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.980 -11.891 1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.200 -12.888 2.810 1.00 0.00 H new ATOM 1163 N ASN A 72 -7.751 -11.737 1.150 1.00 0.00 N ATOM 1164 CA ASN A 72 -8.846 -11.159 1.896 1.00 0.00 C ATOM 1165 C ASN A 72 -8.868 -9.661 1.691 1.00 0.00 C ATOM 1166 O ASN A 72 -8.416 -8.899 2.546 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.726 -11.479 3.408 1.00 0.00 C ATOM 1168 CG ASN A 72 -9.252 -12.849 3.826 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -8.690 -13.486 4.727 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -10.360 -13.280 3.258 1.00 0.00 N ATOM 0 H ASN A 72 -6.981 -11.084 1.003 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.775 -11.594 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.677 -11.407 3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.264 -10.715 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.778 -14.161 3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.800 -12.733 2.518 1.00 0.00 H new ATOM 1177 N GLY A 73 -9.282 -9.256 0.519 1.00 0.00 N ATOM 1178 CA GLY A 73 -9.424 -7.850 0.219 1.00 0.00 C ATOM 1179 C GLY A 73 -10.655 -7.293 0.845 1.00 0.00 C ATOM 1180 O GLY A 73 -11.756 -7.458 0.321 1.00 0.00 O ATOM 0 H GLY A 73 -9.529 -9.881 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.550 -7.307 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.464 -7.707 -0.861 1.00 0.00 H new ATOM 1184 N TYR A 74 -10.466 -6.599 1.925 1.00 0.00 N ATOM 1185 CA TYR A 74 -11.517 -6.101 2.713 1.00 0.00 C ATOM 1186 C TYR A 74 -11.547 -4.640 2.590 1.00 0.00 C ATOM 1187 O TYR A 74 -10.689 -3.925 3.089 1.00 0.00 O ATOM 1188 CB TYR A 74 -11.362 -6.503 4.187 1.00 0.00 C ATOM 1189 CG TYR A 74 -11.907 -7.871 4.547 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -11.297 -9.037 4.131 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -13.059 -7.981 5.305 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -11.823 -10.273 4.466 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -13.590 -9.203 5.639 1.00 0.00 C ATOM 1194 CZ TYR A 74 -12.969 -10.346 5.219 1.00 0.00 C ATOM 1195 OH TYR A 74 -13.509 -11.571 5.537 1.00 0.00 O ATOM 0 H TYR A 74 -9.540 -6.364 2.282 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.453 -6.530 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.303 -6.473 4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.862 -5.757 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.397 -8.985 3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.554 -7.083 5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.333 -11.177 4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -14.492 -9.260 6.230 1.00 0.00 H new ATOM 0 HH TYR A 74 -14.318 -11.442 6.075 1.00 0.00 H new ATOM 1205 N ILE A 75 -12.493 -4.202 1.900 1.00 0.00 N ATOM 1206 CA ILE A 75 -12.716 -2.830 1.746 1.00 0.00 C ATOM 1207 C ILE A 75 -13.582 -2.395 2.890 1.00 0.00 C ATOM 1208 O ILE A 75 -14.677 -2.929 3.090 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.349 -2.577 0.389 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.303 -2.813 -0.695 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.970 -1.176 0.277 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.843 -2.759 -2.101 1.00 0.00 C ATOM 0 H ILE A 75 -13.160 -4.795 1.407 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.793 -2.250 1.769 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.176 -3.276 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.515 -2.067 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.842 -3.787 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -14.408 -1.050 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.746 -1.060 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.198 -0.422 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -12.033 -2.937 -2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.609 -3.524 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.277 -1.777 -2.286 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.061 -1.495 3.650 1.00 0.00 N ATOM 1225 CA GLY A 76 -13.695 -1.059 4.836 1.00 0.00 C ATOM 1226 C GLY A 76 -14.177 0.340 4.713 1.00 0.00 C ATOM 1227 O GLY A 76 -13.386 1.323 4.689 1.00 0.00 O ATOM 0 H GLY A 76 -12.170 -1.037 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.535 -1.716 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.998 -1.133 5.671 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.434 0.462 4.616 1.00 0.00 N ATOM 1232 CA VAL A 77 -16.005 1.734 4.522 1.00 0.00 C ATOM 1233 C VAL A 77 -16.669 2.064 5.805 1.00 0.00 C ATOM 1234 O VAL A 77 -17.479 1.305 6.324 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.934 1.884 3.312 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -17.590 3.249 3.266 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -16.163 1.620 2.029 1.00 0.00 C ATOM 0 H VAL A 77 -16.096 -0.314 4.599 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.211 2.459 4.345 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.731 1.147 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -18.239 3.311 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.181 3.399 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.822 4.020 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -16.831 1.729 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -15.344 2.334 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.760 0.607 2.048 1.00 0.00 H new ATOM 1247 N SER A 78 -16.289 3.169 6.333 1.00 0.00 N ATOM 1248 CA SER A 78 -16.760 3.588 7.602 1.00 0.00 C ATOM 1249 C SER A 78 -17.989 4.467 7.395 1.00 0.00 C ATOM 1250 O SER A 78 -18.246 4.865 6.261 1.00 0.00 O ATOM 1251 CB SER A 78 -15.628 4.315 8.298 1.00 0.00 C ATOM 1252 OG SER A 78 -14.444 3.514 8.268 1.00 0.00 O ATOM 0 H SER A 78 -15.635 3.816 5.892 1.00 0.00 H new ATOM 0 HA SER A 78 -17.061 2.751 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.443 5.271 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.904 4.533 9.330 1.00 0.00 H new ATOM 0 HG SER A 78 -13.715 3.990 8.718 1.00 0.00 H new ATOM 1258 N ASP A 79 -18.709 4.786 8.477 1.00 0.00 N ATOM 1259 CA ASP A 79 -20.008 5.528 8.446 1.00 0.00 C ATOM 1260 C ASP A 79 -20.001 6.772 7.558 1.00 0.00 C ATOM 1261 O ASP A 79 -20.963 7.041 6.832 1.00 0.00 O ATOM 1262 CB ASP A 79 -20.444 5.926 9.857 1.00 0.00 C ATOM 1263 CG ASP A 79 -21.712 6.753 9.850 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -22.797 6.191 9.629 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -21.640 7.986 10.058 1.00 0.00 O ATOM 0 H ASP A 79 -18.414 4.539 9.422 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.719 4.828 8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -20.601 5.028 10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.645 6.492 10.336 1.00 0.00 H new ATOM 1270 N ASN A 80 -18.915 7.502 7.583 1.00 0.00 N ATOM 1271 CA ASN A 80 -18.800 8.727 6.798 1.00 0.00 C ATOM 1272 C ASN A 80 -18.457 8.438 5.342 1.00 0.00 C ATOM 1273 O ASN A 80 -18.166 9.336 4.590 1.00 0.00 O ATOM 1274 CB ASN A 80 -17.772 9.694 7.412 1.00 0.00 C ATOM 1275 CG ASN A 80 -18.225 10.289 8.735 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -18.905 11.315 8.770 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -17.850 9.675 9.828 1.00 0.00 N ATOM 0 H ASN A 80 -18.089 7.277 8.138 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.778 9.208 6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.830 9.166 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.576 10.501 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.121 10.045 10.739 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -17.287 8.827 9.769 1.00 0.00 H new ATOM 1284 N GLY A 81 -18.506 7.174 4.961 1.00 0.00 N ATOM 1285 CA GLY A 81 -18.217 6.768 3.620 1.00 0.00 C ATOM 1286 C GLY A 81 -16.763 6.742 3.369 1.00 0.00 C ATOM 1287 O GLY A 81 -16.304 7.098 2.307 1.00 0.00 O ATOM 0 H GLY A 81 -18.750 6.405 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -18.637 5.779 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -18.697 7.451 2.919 1.00 0.00 H new ATOM 1291 N VAL A 82 -16.043 6.345 4.362 1.00 0.00 N ATOM 1292 CA VAL A 82 -14.609 6.274 4.268 1.00 0.00 C ATOM 1293 C VAL A 82 -14.221 5.050 3.447 1.00 0.00 C ATOM 1294 O VAL A 82 -14.382 3.948 3.883 1.00 0.00 O ATOM 1295 CB VAL A 82 -13.968 6.224 5.661 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -12.452 6.307 5.579 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -14.531 7.333 6.528 1.00 0.00 C ATOM 0 H VAL A 82 -16.423 6.059 5.264 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.239 7.171 3.772 1.00 0.00 H new ATOM 0 HB VAL A 82 -14.212 5.265 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.031 6.269 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.073 5.469 4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.164 7.243 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.072 7.292 7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -14.317 8.298 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -15.610 7.208 6.624 1.00 0.00 H new ATOM 1307 N ILE A 83 -13.670 5.305 2.301 1.00 0.00 N ATOM 1308 CA ILE A 83 -13.334 4.338 1.227 1.00 0.00 C ATOM 1309 C ILE A 83 -12.006 3.604 1.483 1.00 0.00 C ATOM 1310 O ILE A 83 -11.173 3.442 0.600 1.00 0.00 O ATOM 1311 CB ILE A 83 -13.439 4.980 -0.210 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -14.800 5.671 -0.355 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -13.299 3.926 -1.325 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -15.976 4.771 -0.027 1.00 0.00 C ATOM 0 H ILE A 83 -13.412 6.258 2.043 1.00 0.00 H new ATOM 0 HA ILE A 83 -14.097 3.560 1.255 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.623 5.695 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -14.827 6.543 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -14.906 6.035 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -13.377 4.412 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.329 3.435 -1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -14.091 3.184 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -16.905 5.327 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.975 3.912 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.894 4.427 1.004 1.00 0.00 H new ATOM 1326 N SER A 84 -11.761 3.276 2.707 1.00 0.00 N ATOM 1327 CA SER A 84 -10.444 2.821 3.085 1.00 0.00 C ATOM 1328 C SER A 84 -10.325 1.294 2.997 1.00 0.00 C ATOM 1329 O SER A 84 -11.258 0.575 3.285 1.00 0.00 O ATOM 1330 CB SER A 84 -10.185 3.300 4.507 1.00 0.00 C ATOM 1331 OG SER A 84 -11.328 3.080 5.334 1.00 0.00 O ATOM 0 H SER A 84 -12.442 3.310 3.466 1.00 0.00 H new ATOM 0 HA SER A 84 -9.702 3.229 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.325 2.774 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.936 4.361 4.498 1.00 0.00 H new ATOM 0 HG SER A 84 -11.835 2.314 4.994 1.00 0.00 H new ATOM 1337 N THR A 85 -9.205 0.808 2.537 1.00 0.00 N ATOM 1338 CA THR A 85 -9.019 -0.611 2.484 1.00 0.00 C ATOM 1339 C THR A 85 -8.393 -1.085 3.771 1.00 0.00 C ATOM 1340 O THR A 85 -7.688 -0.309 4.476 1.00 0.00 O ATOM 1341 CB THR A 85 -8.185 -1.076 1.260 1.00 0.00 C ATOM 1342 OG1 THR A 85 -6.883 -0.489 1.270 1.00 0.00 O ATOM 1343 CG2 THR A 85 -8.885 -0.709 -0.027 1.00 0.00 C ATOM 0 H THR A 85 -8.420 1.365 2.199 1.00 0.00 H new ATOM 0 HA THR A 85 -10.004 -1.062 2.362 1.00 0.00 H new ATOM 0 HB THR A 85 -8.084 -2.159 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.285 -1.009 0.693 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.286 -1.042 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.862 -1.192 -0.060 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.013 0.372 -0.076 1.00 0.00 H new ATOM 1351 N PHE A 86 -8.683 -2.304 4.120 1.00 0.00 N ATOM 1352 CA PHE A 86 -8.171 -2.903 5.305 1.00 0.00 C ATOM 1353 C PHE A 86 -7.736 -4.312 4.992 1.00 0.00 C ATOM 1354 O PHE A 86 -8.042 -4.857 3.930 1.00 0.00 O ATOM 1355 CB PHE A 86 -9.239 -2.988 6.415 1.00 0.00 C ATOM 1356 CG PHE A 86 -9.693 -1.695 7.030 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -10.532 -0.837 6.352 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -9.313 -1.373 8.313 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -10.980 0.323 6.942 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -9.753 -0.212 8.910 1.00 0.00 C ATOM 1361 CZ PHE A 86 -10.590 0.638 8.224 1.00 0.00 C ATOM 0 H PHE A 86 -9.292 -2.915 3.576 1.00 0.00 H new ATOM 0 HA PHE A 86 -7.343 -2.286 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.114 -3.493 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.849 -3.622 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.842 -1.078 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.661 -2.039 8.859 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -11.637 0.986 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.441 0.031 9.915 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.939 1.548 8.689 1.00 0.00 H new ATOM 1371 N HIS A 87 -7.036 -4.891 5.904 1.00 0.00 N ATOM 1372 CA HIS A 87 -6.675 -6.263 5.811 1.00 0.00 C ATOM 1373 C HIS A 87 -7.430 -7.024 6.878 1.00 0.00 C ATOM 1374 O HIS A 87 -7.109 -6.959 8.069 1.00 0.00 O ATOM 1375 CB HIS A 87 -5.131 -6.466 5.860 1.00 0.00 C ATOM 1376 CG HIS A 87 -4.388 -5.650 6.898 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -3.720 -4.479 6.606 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -4.197 -5.864 8.222 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -3.156 -4.030 7.731 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -3.415 -4.838 8.748 1.00 0.00 N ATOM 0 H HIS A 87 -6.695 -4.422 6.743 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.963 -6.665 4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.929 -7.521 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.722 -6.228 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.590 -6.700 8.782 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.567 -3.128 7.802 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.106 -4.731 9.714 1.00 0.00 H new ATOM 1388 N GLY A 88 -8.471 -7.690 6.448 1.00 0.00 N ATOM 1389 CA GLY A 88 -9.328 -8.380 7.362 1.00 0.00 C ATOM 1390 C GLY A 88 -10.517 -7.514 7.732 1.00 0.00 C ATOM 1391 O GLY A 88 -10.611 -6.374 7.275 1.00 0.00 O ATOM 0 H GLY A 88 -8.741 -7.766 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.674 -9.311 6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.772 -8.647 8.260 1.00 0.00 H new ATOM 1395 N ARG A 89 -11.429 -8.070 8.519 1.00 0.00 N ATOM 1396 CA ARG A 89 -12.647 -7.389 8.991 1.00 0.00 C ATOM 1397 C ARG A 89 -12.380 -5.973 9.503 1.00 0.00 C ATOM 1398 O ARG A 89 -11.538 -5.778 10.396 1.00 0.00 O ATOM 1399 CB ARG A 89 -13.281 -8.204 10.105 1.00 0.00 C ATOM 1400 CG ARG A 89 -13.972 -9.460 9.658 1.00 0.00 C ATOM 1401 CD ARG A 89 -15.312 -9.138 9.041 1.00 0.00 C ATOM 1402 NE ARG A 89 -16.222 -8.490 10.005 1.00 0.00 N ATOM 1403 CZ ARG A 89 -17.546 -8.651 10.037 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -18.159 -9.357 9.088 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -18.260 -8.069 11.001 1.00 0.00 N ATOM 0 H ARG A 89 -11.349 -9.028 8.859 1.00 0.00 H new ATOM 0 HA ARG A 89 -13.316 -7.306 8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.508 -8.470 10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.003 -7.577 10.628 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.349 -9.986 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.108 -10.129 10.508 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -15.168 -8.483 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.770 -10.055 8.670 1.00 0.00 H new ATOM 0 HE ARG A 89 -15.807 -7.871 10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.616 -9.777 8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.171 -9.478 9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -17.794 -7.503 11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -19.272 -8.189 11.029 1.00 0.00 H new ATOM 1419 N PRO A 90 -13.084 -4.973 8.941 1.00 0.00 N ATOM 1420 CA PRO A 90 -12.929 -3.603 9.344 1.00 0.00 C ATOM 1421 C PRO A 90 -13.730 -3.285 10.603 1.00 0.00 C ATOM 1422 O PRO A 90 -14.960 -3.464 10.669 1.00 0.00 O ATOM 1423 CB PRO A 90 -13.432 -2.803 8.142 1.00 0.00 C ATOM 1424 CG PRO A 90 -14.409 -3.694 7.454 1.00 0.00 C ATOM 1425 CD PRO A 90 -14.073 -5.112 7.844 1.00 0.00 C ATOM 0 HA PRO A 90 -11.897 -3.365 9.603 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.904 -1.873 8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.611 -2.534 7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -15.429 -3.446 7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.349 -3.568 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.959 -5.653 8.175 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.657 -5.667 7.003 1.00 0.00 H new ATOM 1433 N GLU A 91 -13.020 -2.922 11.601 1.00 0.00 N ATOM 1434 CA GLU A 91 -13.556 -2.504 12.858 1.00 0.00 C ATOM 1435 C GLU A 91 -12.691 -1.323 13.338 1.00 0.00 C ATOM 1436 O GLU A 91 -11.665 -1.037 12.717 1.00 0.00 O ATOM 1437 CB GLU A 91 -13.537 -3.699 13.834 1.00 0.00 C ATOM 1438 CG GLU A 91 -12.181 -4.329 14.038 1.00 0.00 C ATOM 1439 CD GLU A 91 -12.226 -5.453 15.031 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -12.725 -6.546 14.693 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -11.757 -5.273 16.167 1.00 0.00 O ATOM 0 H GLU A 91 -12.001 -2.904 11.573 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.593 -2.176 12.788 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.917 -3.367 14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.224 -4.461 13.466 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.808 -4.703 13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.477 -3.571 14.381 1.00 0.00 H new ATOM 1448 N PRO A 92 -13.046 -0.591 14.391 1.00 0.00 N ATOM 1449 CA PRO A 92 -12.213 0.514 14.851 1.00 0.00 C ATOM 1450 C PRO A 92 -10.867 0.038 15.388 1.00 0.00 C ATOM 1451 O PRO A 92 -9.894 0.782 15.390 1.00 0.00 O ATOM 1452 CB PRO A 92 -13.037 1.208 15.929 1.00 0.00 C ATOM 1453 CG PRO A 92 -14.078 0.218 16.336 1.00 0.00 C ATOM 1454 CD PRO A 92 -14.275 -0.727 15.181 1.00 0.00 C ATOM 0 HA PRO A 92 -11.961 1.189 14.033 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.414 1.493 16.777 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -13.493 2.122 15.547 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.764 -0.325 17.227 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.012 0.723 16.583 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.416 -1.752 15.525 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -15.156 -0.463 14.596 1.00 0.00 H new ATOM 1462 N ALA A 93 -10.807 -1.210 15.796 1.00 0.00 N ATOM 1463 CA ALA A 93 -9.576 -1.772 16.281 1.00 0.00 C ATOM 1464 C ALA A 93 -8.712 -2.283 15.133 1.00 0.00 C ATOM 1465 O ALA A 93 -7.600 -2.777 15.359 1.00 0.00 O ATOM 1466 CB ALA A 93 -9.842 -2.867 17.277 1.00 0.00 C ATOM 0 H ALA A 93 -11.600 -1.852 15.800 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.025 -0.979 16.786 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.895 -3.276 17.629 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.399 -2.463 18.122 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.425 -3.657 16.803 1.00 0.00 H new ATOM 1472 N SER A 94 -9.210 -2.195 13.905 1.00 0.00 N ATOM 1473 CA SER A 94 -8.399 -2.581 12.797 1.00 0.00 C ATOM 1474 C SER A 94 -7.709 -1.355 12.231 1.00 0.00 C ATOM 1475 O SER A 94 -8.182 -0.224 12.425 1.00 0.00 O ATOM 1476 CB SER A 94 -9.183 -3.372 11.744 1.00 0.00 C ATOM 1477 OG SER A 94 -10.305 -2.671 11.265 1.00 0.00 O ATOM 0 H SER A 94 -10.147 -1.867 13.672 1.00 0.00 H new ATOM 0 HA SER A 94 -7.631 -3.272 13.145 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.524 -3.610 10.909 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.508 -4.320 12.174 1.00 0.00 H new ATOM 0 HG SER A 94 -10.466 -1.887 11.830 1.00 0.00 H new ATOM 1483 N GLU A 95 -6.612 -1.561 11.561 1.00 0.00 N ATOM 1484 CA GLU A 95 -5.784 -0.476 11.096 1.00 0.00 C ATOM 1485 C GLU A 95 -6.063 -0.138 9.640 1.00 0.00 C ATOM 1486 O GLU A 95 -5.875 -0.983 8.755 1.00 0.00 O ATOM 1487 CB GLU A 95 -4.326 -0.861 11.304 1.00 0.00 C ATOM 1488 CG GLU A 95 -4.026 -1.146 12.759 1.00 0.00 C ATOM 1489 CD GLU A 95 -2.682 -1.757 12.992 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -2.553 -2.989 12.868 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -1.740 -1.033 13.348 1.00 0.00 O ATOM 0 H GLU A 95 -6.262 -2.488 11.319 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.014 0.423 11.668 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.093 -1.741 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.683 -0.055 10.951 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.094 -0.216 13.323 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.791 -1.814 13.153 1.00 0.00 H new ATOM 1498 N PRO A 96 -6.559 1.091 9.373 1.00 0.00 N ATOM 1499 CA PRO A 96 -6.810 1.557 8.017 1.00 0.00 C ATOM 1500 C PRO A 96 -5.508 1.730 7.270 1.00 0.00 C ATOM 1501 O PRO A 96 -4.531 2.284 7.802 1.00 0.00 O ATOM 1502 CB PRO A 96 -7.496 2.919 8.190 1.00 0.00 C ATOM 1503 CG PRO A 96 -7.859 3.005 9.631 1.00 0.00 C ATOM 1504 CD PRO A 96 -6.912 2.108 10.370 1.00 0.00 C ATOM 0 HA PRO A 96 -7.417 0.852 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.829 3.733 7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.381 2.995 7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.779 4.031 9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.891 2.692 9.789 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.033 2.651 10.718 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.381 1.664 11.248 1.00 0.00 H new ATOM 1512 N ILE A 97 -5.489 1.253 6.068 1.00 0.00 N ATOM 1513 CA ILE A 97 -4.313 1.315 5.243 1.00 0.00 C ATOM 1514 C ILE A 97 -4.127 2.726 4.678 1.00 0.00 C ATOM 1515 O ILE A 97 -3.037 3.297 4.746 1.00 0.00 O ATOM 1516 CB ILE A 97 -4.413 0.268 4.118 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -4.502 -1.138 4.735 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.229 0.377 3.173 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -4.850 -2.235 3.754 1.00 0.00 C ATOM 0 H ILE A 97 -6.290 0.806 5.623 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.436 1.086 5.849 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.314 0.454 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.547 -1.376 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.251 -1.126 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.321 -0.372 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.210 1.371 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.305 0.210 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.891 -3.191 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.820 -2.026 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.090 -2.280 2.974 1.00 0.00 H new ATOM 1531 N GLN A 98 -5.185 3.281 4.150 1.00 0.00 N ATOM 1532 CA GLN A 98 -5.171 4.623 3.611 1.00 0.00 C ATOM 1533 C GLN A 98 -6.573 5.143 3.670 1.00 0.00 C ATOM 1534 O GLN A 98 -7.409 4.548 4.352 1.00 0.00 O ATOM 1535 CB GLN A 98 -4.627 4.655 2.154 1.00 0.00 C ATOM 1536 CG GLN A 98 -5.553 4.169 1.017 1.00 0.00 C ATOM 1537 CD GLN A 98 -6.387 2.959 1.366 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -7.560 3.072 1.696 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.743 1.911 1.548 1.00 0.00 N ATOM 0 H GLN A 98 -6.089 2.815 4.079 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.502 5.251 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.336 5.681 1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.719 4.052 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.218 4.984 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.944 3.936 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.766 1.856 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.191 1.107 1.986 1.00 0.00 H new ATOM 1548 N SER A 99 -6.848 6.236 3.030 1.00 0.00 N ATOM 1549 CA SER A 99 -8.190 6.661 2.860 1.00 0.00 C ATOM 1550 C SER A 99 -8.316 7.370 1.503 1.00 0.00 C ATOM 1551 O SER A 99 -7.515 8.249 1.193 1.00 0.00 O ATOM 1552 CB SER A 99 -8.630 7.567 4.017 1.00 0.00 C ATOM 1553 OG SER A 99 -8.484 6.900 5.278 1.00 0.00 O ATOM 0 H SER A 99 -6.149 6.852 2.615 1.00 0.00 H new ATOM 0 HA SER A 99 -8.854 5.796 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.036 8.481 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.670 7.863 3.877 1.00 0.00 H new ATOM 0 HG SER A 99 -8.238 5.964 5.126 1.00 0.00 H new ATOM 1559 N PHE A 100 -9.258 6.943 0.678 1.00 0.00 N ATOM 1560 CA PHE A 100 -9.476 7.596 -0.608 1.00 0.00 C ATOM 1561 C PHE A 100 -10.536 8.680 -0.487 1.00 0.00 C ATOM 1562 O PHE A 100 -10.221 9.856 -0.315 1.00 0.00 O ATOM 1563 CB PHE A 100 -9.877 6.603 -1.711 1.00 0.00 C ATOM 1564 CG PHE A 100 -8.838 5.586 -2.066 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -7.810 5.906 -2.934 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -8.905 4.304 -1.559 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -6.866 4.966 -3.283 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -7.964 3.363 -1.901 1.00 0.00 C ATOM 1569 CZ PHE A 100 -6.943 3.695 -2.767 1.00 0.00 C ATOM 0 H PHE A 100 -9.879 6.157 0.870 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.525 8.044 -0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -10.780 6.080 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -10.132 7.166 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.747 6.904 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.706 4.037 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -6.067 5.227 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.024 2.365 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.204 2.956 -3.039 1.00 0.00 H new ATOM 1579 N PHE A 101 -11.780 8.272 -0.544 1.00 0.00 N ATOM 1580 CA PHE A 101 -12.897 9.184 -0.473 1.00 0.00 C ATOM 1581 C PHE A 101 -13.636 9.045 0.829 1.00 0.00 C ATOM 1582 O PHE A 101 -13.403 8.091 1.602 1.00 0.00 O ATOM 1583 CB PHE A 101 -13.905 8.930 -1.608 1.00 0.00 C ATOM 1584 CG PHE A 101 -13.528 9.444 -2.959 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -12.716 8.713 -3.805 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -14.021 10.658 -3.391 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -12.397 9.191 -5.061 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -13.705 11.147 -4.640 1.00 0.00 C ATOM 1589 CZ PHE A 101 -12.892 10.412 -5.478 1.00 0.00 C ATOM 0 H PHE A 101 -12.048 7.293 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.477 10.186 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -14.069 7.855 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -14.858 9.378 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -12.327 7.759 -3.481 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -14.664 11.233 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -11.762 8.612 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -14.092 12.102 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.643 10.790 -6.458 1.00 0.00 H new ATOM 1599 N GLN A 102 -14.486 10.000 1.066 1.00 0.00 N ATOM 1600 CA GLN A 102 -15.411 10.005 2.104 1.00 0.00 C ATOM 1601 C GLN A 102 -16.748 10.346 1.413 1.00 0.00 C ATOM 1602 O GLN A 102 -16.850 11.389 0.755 1.00 0.00 O ATOM 1603 CB GLN A 102 -15.015 11.088 3.087 1.00 0.00 C ATOM 1604 CG GLN A 102 -15.726 10.978 4.362 1.00 0.00 C ATOM 1605 CD GLN A 102 -15.532 12.181 5.231 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -16.299 13.138 5.176 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -14.512 12.161 6.019 1.00 0.00 N ATOM 0 H GLN A 102 -14.535 10.839 0.489 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.472 9.066 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.941 11.034 3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.216 12.065 2.646 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.790 10.840 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.380 10.091 4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.897 11.347 6.037 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.320 12.959 6.625 1.00 0.00 H new ATOM 1616 N ILE A 103 -17.729 9.468 1.503 1.00 0.00 N ATOM 1617 CA ILE A 103 -18.986 9.619 0.743 1.00 0.00 C ATOM 1618 C ILE A 103 -20.206 9.363 1.650 1.00 0.00 C ATOM 1619 O ILE A 103 -20.103 8.693 2.669 1.00 0.00 O ATOM 1620 CB ILE A 103 -19.047 8.621 -0.491 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -19.242 7.178 -0.002 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -17.758 8.709 -1.318 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -19.459 6.183 -1.110 1.00 0.00 C ATOM 0 H ILE A 103 -17.693 8.636 2.092 1.00 0.00 H new ATOM 0 HA ILE A 103 -19.011 10.643 0.371 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.893 8.906 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -18.367 6.879 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -20.096 7.146 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.818 8.018 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -17.634 9.726 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -16.905 8.446 -0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -19.588 5.188 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.351 6.455 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.595 6.184 -1.774 1.00 0.00 H new ATOM 1635 N ASP A 104 -21.350 9.879 1.287 1.00 0.00 N ATOM 1636 CA ASP A 104 -22.543 9.640 2.078 1.00 0.00 C ATOM 1637 C ASP A 104 -23.095 8.245 1.897 1.00 0.00 C ATOM 1638 O ASP A 104 -23.693 7.912 0.867 1.00 0.00 O ATOM 1639 CB ASP A 104 -23.642 10.668 1.817 1.00 0.00 C ATOM 1640 CG ASP A 104 -23.502 11.917 2.651 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -23.875 11.898 3.848 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -23.055 12.949 2.143 1.00 0.00 O ATOM 0 H ASP A 104 -21.488 10.461 0.461 1.00 0.00 H new ATOM 0 HA ASP A 104 -22.218 9.746 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -23.631 10.941 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -24.611 10.212 2.018 1.00 0.00 H new ATOM 1647 N LEU A 105 -22.931 7.422 2.897 1.00 0.00 N ATOM 1648 CA LEU A 105 -23.494 6.096 2.859 1.00 0.00 C ATOM 1649 C LEU A 105 -24.985 6.190 2.989 1.00 0.00 C ATOM 1650 O LEU A 105 -25.699 5.325 2.532 1.00 0.00 O ATOM 1651 CB LEU A 105 -22.962 5.188 3.951 1.00 0.00 C ATOM 1652 CG LEU A 105 -21.486 4.849 3.952 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -21.286 3.627 4.815 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -20.976 4.602 2.545 1.00 0.00 C ATOM 0 H LEU A 105 -22.413 7.644 3.747 1.00 0.00 H new ATOM 0 HA LEU A 105 -23.204 5.656 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -23.197 5.650 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.517 4.251 3.904 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.918 5.689 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.229 3.362 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.623 3.839 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.862 2.796 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.914 4.361 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -21.522 3.770 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.125 5.497 1.941 1.00 0.00 H new ATOM 1666 N GLU A 106 -25.453 7.232 3.623 1.00 0.00 N ATOM 1667 CA GLU A 106 -26.870 7.471 3.700 1.00 0.00 C ATOM 1668 C GLU A 106 -27.432 7.853 2.326 1.00 0.00 C ATOM 1669 O GLU A 106 -28.627 7.734 2.088 1.00 0.00 O ATOM 1670 CB GLU A 106 -27.196 8.525 4.739 1.00 0.00 C ATOM 1671 CG GLU A 106 -26.432 9.815 4.578 1.00 0.00 C ATOM 1672 CD GLU A 106 -26.943 10.878 5.492 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -26.591 10.880 6.689 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -27.716 11.746 5.025 1.00 0.00 O ATOM 0 H GLU A 106 -24.875 7.928 4.093 1.00 0.00 H new ATOM 0 HA GLU A 106 -27.350 6.544 4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -28.263 8.741 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -26.992 8.117 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -25.375 9.639 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -26.507 10.156 3.545 1.00 0.00 H new ATOM 1681 N ARG A 107 -26.563 8.309 1.416 1.00 0.00 N ATOM 1682 CA ARG A 107 -27.011 8.607 0.079 1.00 0.00 C ATOM 1683 C ARG A 107 -26.920 7.333 -0.758 1.00 0.00 C ATOM 1684 O ARG A 107 -27.460 7.250 -1.862 1.00 0.00 O ATOM 1685 CB ARG A 107 -26.244 9.780 -0.550 1.00 0.00 C ATOM 1686 CG ARG A 107 -25.038 9.416 -1.374 1.00 0.00 C ATOM 1687 CD ARG A 107 -24.376 10.646 -1.990 1.00 0.00 C ATOM 1688 NE ARG A 107 -25.320 11.439 -2.778 1.00 0.00 N ATOM 1689 CZ ARG A 107 -24.986 12.388 -3.666 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -23.740 12.848 -3.713 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -25.916 12.925 -4.455 1.00 0.00 N ATOM 0 H ARG A 107 -25.571 8.472 1.588 1.00 0.00 H new ATOM 0 HA ARG A 107 -28.049 8.938 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -26.933 10.342 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -25.925 10.449 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -24.316 8.890 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -25.334 8.728 -2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -23.954 11.265 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -23.547 10.332 -2.625 1.00 0.00 H new ATOM 0 HE ARG A 107 -26.314 11.255 -2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -23.036 12.480 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.488 13.569 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -26.885 12.615 -4.385 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -25.659 13.646 -5.129 1.00 0.00 H new ATOM 1705 N LEU A 108 -26.189 6.346 -0.218 1.00 0.00 N ATOM 1706 CA LEU A 108 -26.174 4.991 -0.780 1.00 0.00 C ATOM 1707 C LEU A 108 -27.559 4.371 -0.699 1.00 0.00 C ATOM 1708 O LEU A 108 -28.414 4.831 0.073 1.00 0.00 O ATOM 1709 CB LEU A 108 -25.159 4.038 -0.082 1.00 0.00 C ATOM 1710 CG LEU A 108 -23.848 3.811 -0.803 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -22.984 4.997 -0.780 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -23.085 2.682 -0.250 1.00 0.00 C ATOM 0 H LEU A 108 -25.601 6.463 0.607 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.858 5.104 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -24.940 4.437 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -25.641 3.071 0.063 1.00 0.00 H new ATOM 0 HG LEU A 108 -24.134 3.586 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -22.056 4.782 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -23.495 5.829 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.758 5.263 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -22.154 2.565 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -22.860 2.874 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -23.674 1.769 -0.334 1.00 0.00 H new ATOM 1724 N GLU A 109 -27.754 3.314 -1.467 1.00 0.00 N ATOM 1725 CA GLU A 109 -29.041 2.627 -1.547 1.00 0.00 C ATOM 1726 C GLU A 109 -29.407 2.018 -0.194 1.00 0.00 C ATOM 1727 O GLU A 109 -30.263 2.534 0.526 1.00 0.00 O ATOM 1728 CB GLU A 109 -28.981 1.505 -2.557 1.00 0.00 C ATOM 1729 CG GLU A 109 -28.394 1.851 -3.892 1.00 0.00 C ATOM 1730 CD GLU A 109 -28.289 0.621 -4.738 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -27.630 -0.348 -4.309 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -28.866 0.590 -5.838 1.00 0.00 O ATOM 0 H GLU A 109 -27.028 2.904 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 109 -29.788 3.363 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -28.401 0.688 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -29.992 1.130 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -29.017 2.594 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -27.408 2.298 -3.761 1.00 0.00 H new ATOM 1739 N SER A 110 -28.757 0.918 0.141 1.00 0.00 N ATOM 1740 CA SER A 110 -28.997 0.257 1.386 1.00 0.00 C ATOM 1741 C SER A 110 -27.889 -0.735 1.735 1.00 0.00 C ATOM 1742 O SER A 110 -27.003 -0.434 2.523 1.00 0.00 O ATOM 1743 CB SER A 110 -30.387 -0.418 1.380 1.00 0.00 C ATOM 1744 OG SER A 110 -30.605 -1.123 0.153 1.00 0.00 O ATOM 0 H SER A 110 -28.054 0.469 -0.447 1.00 0.00 H new ATOM 0 HA SER A 110 -28.989 1.014 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 110 -30.465 -1.108 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 110 -31.163 0.336 1.514 1.00 0.00 H new ATOM 0 HG SER A 110 -31.490 -1.544 0.171 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.898 -1.878 1.099 1.00 0.00 N ATOM 1751 CA HIS A 111 -27.006 -2.951 1.489 1.00 0.00 C ATOM 1752 C HIS A 111 -25.578 -2.804 0.960 1.00 0.00 C ATOM 1753 O HIS A 111 -24.652 -3.355 1.551 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.607 -4.318 1.166 1.00 0.00 C ATOM 1755 CG HIS A 111 -26.938 -5.465 1.868 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -26.346 -6.521 1.226 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -26.796 -5.709 3.196 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -25.875 -7.353 2.153 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -26.120 -6.904 3.373 1.00 0.00 N ATOM 0 H HIS A 111 -28.509 -2.094 0.311 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.907 -2.875 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -28.664 -4.310 1.432 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -27.551 -4.482 0.090 1.00 0.00 H new ATOM 0 HD1 HIS A 111 -26.278 -6.647 0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -27.154 -5.071 3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -25.359 -8.277 1.936 1.00 0.00 H new ATOM 1767 N MET A 112 -25.383 -2.060 -0.121 1.00 0.00 N ATOM 1768 CA MET A 112 -24.033 -1.897 -0.656 1.00 0.00 C ATOM 1769 C MET A 112 -23.072 -1.278 0.368 1.00 0.00 C ATOM 1770 O MET A 112 -21.957 -1.784 0.552 1.00 0.00 O ATOM 1771 CB MET A 112 -23.970 -1.192 -2.026 1.00 0.00 C ATOM 1772 CG MET A 112 -24.574 0.181 -2.098 1.00 0.00 C ATOM 1773 SD MET A 112 -24.241 1.002 -3.673 1.00 0.00 S ATOM 1774 CE MET A 112 -22.445 0.898 -3.730 1.00 0.00 C ATOM 0 H MET A 112 -26.117 -1.572 -0.634 1.00 0.00 H new ATOM 0 HA MET A 112 -23.685 -2.911 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 112 -22.925 -1.122 -2.326 1.00 0.00 H new ATOM 0 HB3 MET A 112 -24.471 -1.824 -2.759 1.00 0.00 H new ATOM 0 HG2 MET A 112 -25.652 0.109 -1.950 1.00 0.00 H new ATOM 0 HG3 MET A 112 -24.181 0.790 -1.284 1.00 0.00 H new ATOM 0 HE1 MET A 112 -22.048 1.759 -4.267 1.00 0.00 H new ATOM 0 HE2 MET A 112 -22.049 0.889 -2.715 1.00 0.00 H new ATOM 0 HE3 MET A 112 -22.150 -0.018 -4.242 1.00 0.00 H new ATOM 1784 N GLN A 113 -23.521 -0.229 1.090 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.700 0.342 2.167 1.00 0.00 C ATOM 1786 C GLN A 113 -22.483 -0.671 3.251 1.00 0.00 C ATOM 1787 O GLN A 113 -21.411 -0.787 3.782 1.00 0.00 O ATOM 1788 CB GLN A 113 -23.299 1.604 2.799 1.00 0.00 C ATOM 1789 CG GLN A 113 -24.766 1.673 2.794 1.00 0.00 C ATOM 1790 CD GLN A 113 -25.325 2.047 4.130 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -25.571 1.201 4.969 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -25.584 3.290 4.314 1.00 0.00 N ATOM 0 H GLN A 113 -24.423 0.226 0.949 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.758 0.624 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.952 1.674 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -22.909 2.475 2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -25.090 2.402 2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -25.171 0.707 2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -25.363 3.970 3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -26.011 3.598 5.188 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.519 -1.440 3.527 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.489 -2.440 4.579 1.00 0.00 C ATOM 1803 C LYS A 114 -22.490 -3.551 4.282 1.00 0.00 C ATOM 1804 O LYS A 114 -21.934 -4.154 5.194 1.00 0.00 O ATOM 1805 CB LYS A 114 -24.886 -2.981 4.860 1.00 0.00 C ATOM 1806 CG LYS A 114 -25.854 -1.875 5.223 1.00 0.00 C ATOM 1807 CD LYS A 114 -27.207 -2.391 5.607 1.00 0.00 C ATOM 1808 CE LYS A 114 -28.176 -1.237 5.847 1.00 0.00 C ATOM 1809 NZ LYS A 114 -29.525 -1.695 6.241 1.00 0.00 N ATOM 0 H LYS A 114 -24.407 -1.389 3.028 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.141 -1.951 5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.254 -3.512 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -24.839 -3.705 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -25.443 -1.295 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -25.956 -1.195 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -27.592 -3.038 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.128 -2.999 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -27.776 -0.588 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -28.251 -0.637 4.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -30.141 -0.871 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -29.923 -2.292 5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -29.462 -2.245 7.122 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.259 -3.829 3.008 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.215 -4.784 2.627 1.00 0.00 C ATOM 1825 C ASN A 115 -19.867 -4.214 2.907 1.00 0.00 C ATOM 1826 O ASN A 115 -18.973 -4.896 3.385 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.286 -5.217 1.167 1.00 0.00 C ATOM 1828 CG ASN A 115 -22.424 -6.141 0.898 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -22.882 -6.845 1.797 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -22.839 -6.206 -0.330 1.00 0.00 N ATOM 0 H ASN A 115 -22.769 -3.417 2.226 1.00 0.00 H new ATOM 0 HA ASN A 115 -21.388 -5.674 3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -21.382 -4.335 0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -20.352 -5.707 0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -23.577 -6.862 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.427 -5.601 -1.040 1.00 0.00 H new ATOM 1837 N LEU A 116 -19.743 -2.944 2.655 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.505 -2.233 2.874 1.00 0.00 C ATOM 1839 C LEU A 116 -18.249 -2.094 4.389 1.00 0.00 C ATOM 1840 O LEU A 116 -17.108 -1.997 4.833 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.607 -0.859 2.241 1.00 0.00 C ATOM 1842 CG LEU A 116 -19.084 -0.801 0.784 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -19.362 0.627 0.383 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -18.057 -1.417 -0.153 1.00 0.00 C ATOM 0 H LEU A 116 -20.498 -2.364 2.290 1.00 0.00 H new ATOM 0 HA LEU A 116 -17.678 -2.782 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.286 -0.257 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.626 -0.386 2.296 1.00 0.00 H new ATOM 0 HG LEU A 116 -20.005 -1.379 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -19.700 0.655 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -20.136 1.042 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -18.451 1.217 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -18.421 -1.362 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.117 -0.871 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.895 -2.460 0.119 1.00 0.00 H new ATOM 1856 N LEU A 117 -19.343 -2.058 5.160 1.00 0.00 N ATOM 1857 CA LEU A 117 -19.293 -1.995 6.615 1.00 0.00 C ATOM 1858 C LEU A 117 -18.669 -3.247 7.217 1.00 0.00 C ATOM 1859 O LEU A 117 -17.784 -3.145 8.058 1.00 0.00 O ATOM 1860 CB LEU A 117 -20.696 -1.796 7.226 1.00 0.00 C ATOM 1861 CG LEU A 117 -21.480 -0.554 6.796 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -22.812 -0.462 7.530 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -20.665 0.698 7.005 1.00 0.00 C ATOM 0 H LEU A 117 -20.291 -2.072 4.783 1.00 0.00 H new ATOM 0 HA LEU A 117 -18.669 -1.135 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -21.296 -2.674 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -20.591 -1.769 8.311 1.00 0.00 H new ATOM 0 HG LEU A 117 -21.691 -0.647 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.346 0.430 7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -23.411 -1.345 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -22.633 -0.405 8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.245 1.566 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -20.410 0.794 8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -19.751 0.640 6.414 1.00 0.00 H new ATOM 1875 N LYS A 118 -19.130 -4.437 6.799 1.00 0.00 N ATOM 1876 CA LYS A 118 -18.594 -5.666 7.377 1.00 0.00 C ATOM 1877 C LYS A 118 -17.306 -6.044 6.692 1.00 0.00 C ATOM 1878 O LYS A 118 -16.522 -6.827 7.213 1.00 0.00 O ATOM 1879 CB LYS A 118 -19.577 -6.870 7.357 1.00 0.00 C ATOM 1880 CG LYS A 118 -19.688 -7.633 6.036 1.00 0.00 C ATOM 1881 CD LYS A 118 -20.746 -7.097 5.099 1.00 0.00 C ATOM 1882 CE LYS A 118 -22.160 -7.412 5.585 1.00 0.00 C ATOM 1883 NZ LYS A 118 -23.198 -6.922 4.642 1.00 0.00 N ATOM 0 H LYS A 118 -19.848 -4.567 6.087 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.418 -5.442 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -19.273 -7.572 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -20.569 -6.506 7.626 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -18.723 -7.605 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -19.905 -8.679 6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -20.629 -6.018 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -20.601 -7.525 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -22.267 -8.489 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -22.316 -6.957 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -24.080 -7.453 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -23.370 -5.910 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -22.871 -7.060 3.664 1.00 0.00 H new ATOM 1897 N GLY A 119 -17.102 -5.497 5.514 1.00 0.00 N ATOM 1898 CA GLY A 119 -15.918 -5.753 4.798 1.00 0.00 C ATOM 1899 C GLY A 119 -16.121 -6.830 3.788 1.00 0.00 C ATOM 1900 O GLY A 119 -16.683 -7.897 4.098 1.00 0.00 O ATOM 0 H GLY A 119 -17.758 -4.871 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -15.587 -4.842 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.127 -6.044 5.490 1.00 0.00 H new ATOM 1904 N ILE A 120 -15.701 -6.553 2.591 1.00 0.00 N ATOM 1905 CA ILE A 120 -15.806 -7.496 1.500 1.00 0.00 C ATOM 1906 C ILE A 120 -14.804 -8.610 1.772 1.00 0.00 C ATOM 1907 O ILE A 120 -13.678 -8.334 2.096 1.00 0.00 O ATOM 1908 CB ILE A 120 -15.485 -6.808 0.132 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.227 -5.464 0.014 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -15.894 -7.708 -1.031 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -17.724 -5.577 0.197 1.00 0.00 C ATOM 0 H ILE A 120 -15.272 -5.664 2.334 1.00 0.00 H new ATOM 0 HA ILE A 120 -16.821 -7.887 1.436 1.00 0.00 H new ATOM 0 HB ILE A 120 -14.410 -6.632 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -15.830 -4.774 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.021 -5.030 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.663 -7.212 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -15.347 -8.649 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -16.964 -7.906 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.178 -4.591 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.134 -6.241 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -17.940 -5.981 1.186 1.00 0.00 H new ATOM 1923 N PRO A 121 -15.209 -9.871 1.678 1.00 0.00 N ATOM 1924 CA PRO A 121 -14.341 -11.004 2.035 1.00 0.00 C ATOM 1925 C PRO A 121 -13.154 -11.239 1.091 1.00 0.00 C ATOM 1926 O PRO A 121 -12.165 -11.901 1.464 1.00 0.00 O ATOM 1927 CB PRO A 121 -15.290 -12.198 2.015 1.00 0.00 C ATOM 1928 CG PRO A 121 -16.386 -11.796 1.089 1.00 0.00 C ATOM 1929 CD PRO A 121 -16.556 -10.318 1.263 1.00 0.00 C ATOM 0 HA PRO A 121 -13.858 -10.821 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -14.786 -13.098 1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -15.674 -12.415 3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -16.134 -12.040 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.309 -12.325 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -16.873 -9.837 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.308 -10.085 2.017 1.00 0.00 H new ATOM 1937 N PHE A 122 -13.219 -10.673 -0.076 1.00 0.00 N ATOM 1938 CA PHE A 122 -12.220 -10.945 -1.101 1.00 0.00 C ATOM 1939 C PHE A 122 -12.297 -9.900 -2.188 1.00 0.00 C ATOM 1940 O PHE A 122 -13.363 -9.356 -2.439 1.00 0.00 O ATOM 1941 CB PHE A 122 -12.490 -12.344 -1.690 1.00 0.00 C ATOM 1942 CG PHE A 122 -11.510 -12.843 -2.722 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -10.340 -13.461 -2.333 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -11.777 -12.718 -4.077 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -9.453 -13.941 -3.269 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -10.894 -13.199 -5.018 1.00 0.00 C ATOM 1947 CZ PHE A 122 -9.730 -13.812 -4.613 1.00 0.00 C ATOM 0 H PHE A 122 -13.949 -10.017 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.222 -10.914 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.514 -13.060 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.484 -12.339 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.117 -13.569 -1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.689 -12.237 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.539 -14.419 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -11.114 -13.096 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 122 -9.035 -14.191 -5.347 1.00 0.00 H new ATOM 1957 N ARG A 123 -11.171 -9.604 -2.809 1.00 0.00 N ATOM 1958 CA ARG A 123 -11.100 -8.682 -3.922 1.00 0.00 C ATOM 1959 C ARG A 123 -10.022 -9.137 -4.874 1.00 0.00 C ATOM 1960 O ARG A 123 -9.179 -9.970 -4.524 1.00 0.00 O ATOM 1961 CB ARG A 123 -10.764 -7.239 -3.476 1.00 0.00 C ATOM 1962 CG ARG A 123 -11.854 -6.459 -2.734 1.00 0.00 C ATOM 1963 CD ARG A 123 -13.052 -6.094 -3.626 1.00 0.00 C ATOM 1964 NE ARG A 123 -13.925 -7.228 -3.949 1.00 0.00 N ATOM 1965 CZ ARG A 123 -14.970 -7.188 -4.794 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -15.201 -6.104 -5.523 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -15.769 -8.239 -4.917 1.00 0.00 N ATOM 0 H ARG A 123 -10.269 -10.004 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.082 -8.675 -4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -9.884 -7.281 -2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.486 -6.669 -4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -12.205 -7.052 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.423 -5.546 -2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.642 -5.325 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.681 -5.659 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 123 -13.723 -8.119 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.584 -5.295 -5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.995 -6.079 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.592 -9.081 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.561 -8.205 -5.559 1.00 0.00 H new ATOM 1981 N THR A 124 -10.077 -8.608 -6.057 1.00 0.00 N ATOM 1982 CA THR A 124 -9.072 -8.780 -7.062 1.00 0.00 C ATOM 1983 C THR A 124 -8.900 -7.374 -7.659 1.00 0.00 C ATOM 1984 O THR A 124 -9.737 -6.502 -7.375 1.00 0.00 O ATOM 1985 CB THR A 124 -9.512 -9.817 -8.139 1.00 0.00 C ATOM 1986 OG1 THR A 124 -10.018 -10.993 -7.495 1.00 0.00 O ATOM 1987 CG2 THR A 124 -8.349 -10.239 -9.016 1.00 0.00 C ATOM 0 H THR A 124 -10.854 -8.021 -6.362 1.00 0.00 H new ATOM 0 HA THR A 124 -8.140 -9.175 -6.659 1.00 0.00 H new ATOM 0 HB THR A 124 -10.275 -9.342 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 124 -10.982 -11.064 -7.655 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.694 -10.962 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.942 -9.366 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.574 -10.693 -8.399 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.889 -7.151 -8.473 1.00 0.00 N ATOM 1996 CA LYS A 125 -7.537 -5.814 -8.929 1.00 0.00 C ATOM 1997 C LYS A 125 -8.652 -5.123 -9.714 1.00 0.00 C ATOM 1998 O LYS A 125 -8.978 -3.971 -9.439 1.00 0.00 O ATOM 1999 CB LYS A 125 -6.230 -5.851 -9.723 1.00 0.00 C ATOM 2000 CG LYS A 125 -6.275 -6.739 -10.967 1.00 0.00 C ATOM 2001 CD LYS A 125 -4.932 -6.804 -11.665 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.479 -5.443 -12.153 1.00 0.00 C ATOM 2003 NZ LYS A 125 -3.174 -5.502 -12.820 1.00 0.00 N ATOM 0 H LYS A 125 -7.286 -7.888 -8.839 1.00 0.00 H new ATOM 0 HA LYS A 125 -7.392 -5.205 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.973 -4.836 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.431 -6.201 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -6.586 -7.745 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -7.025 -6.356 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -4.187 -7.210 -10.981 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -4.996 -7.489 -12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.220 -5.041 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.423 -4.756 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.025 -4.631 -13.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.423 -5.595 -12.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.148 -6.322 -13.459 1.00 0.00 H new ATOM 2017 N ALA A 126 -9.310 -5.847 -10.604 1.00 0.00 N ATOM 2018 CA ALA A 126 -10.303 -5.231 -11.446 1.00 0.00 C ATOM 2019 C ALA A 126 -11.596 -5.087 -10.684 1.00 0.00 C ATOM 2020 O ALA A 126 -12.445 -4.252 -10.996 1.00 0.00 O ATOM 2021 CB ALA A 126 -10.498 -6.042 -12.703 1.00 0.00 C ATOM 0 H ALA A 126 -9.173 -6.846 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 126 -9.963 -4.238 -11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.251 -5.565 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.556 -6.101 -13.248 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.828 -7.047 -12.440 1.00 0.00 H new ATOM 2027 N GLU A 127 -11.715 -5.886 -9.654 1.00 0.00 N ATOM 2028 CA GLU A 127 -12.890 -5.895 -8.829 1.00 0.00 C ATOM 2029 C GLU A 127 -12.818 -4.771 -7.817 1.00 0.00 C ATOM 2030 O GLU A 127 -13.836 -4.249 -7.379 1.00 0.00 O ATOM 2031 CB GLU A 127 -13.025 -7.236 -8.143 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.882 -8.378 -9.115 1.00 0.00 C ATOM 2033 CD GLU A 127 -13.282 -9.706 -8.537 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -14.467 -9.901 -8.244 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -12.422 -10.580 -8.386 1.00 0.00 O ATOM 0 H GLU A 127 -10.996 -6.549 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 127 -13.772 -5.738 -9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -12.267 -7.324 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.996 -7.297 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.492 -8.175 -9.995 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.846 -8.433 -9.450 1.00 0.00 H new ATOM 2042 N PHE A 128 -11.608 -4.403 -7.446 1.00 0.00 N ATOM 2043 CA PHE A 128 -11.379 -3.284 -6.565 1.00 0.00 C ATOM 2044 C PHE A 128 -11.815 -2.004 -7.247 1.00 0.00 C ATOM 2045 O PHE A 128 -12.606 -1.250 -6.710 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.896 -3.211 -6.172 1.00 0.00 C ATOM 2047 CG PHE A 128 -9.521 -1.928 -5.499 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -9.645 -1.779 -4.141 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -9.064 -0.855 -6.251 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -9.321 -0.587 -3.538 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -8.738 0.334 -5.658 1.00 0.00 C ATOM 2052 CZ PHE A 128 -8.866 0.471 -4.299 1.00 0.00 C ATOM 0 H PHE A 128 -10.756 -4.875 -7.750 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.965 -3.416 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.663 -4.043 -5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -9.285 -3.336 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -10.000 -2.604 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.964 -0.960 -7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -9.422 -0.478 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.382 1.160 -6.256 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.611 1.407 -3.824 1.00 0.00 H new ATOM 2062 N GLU A 129 -11.315 -1.775 -8.432 1.00 0.00 N ATOM 2063 CA GLU A 129 -11.659 -0.584 -9.159 1.00 0.00 C ATOM 2064 C GLU A 129 -13.130 -0.576 -9.544 1.00 0.00 C ATOM 2065 O GLU A 129 -13.720 0.462 -9.643 1.00 0.00 O ATOM 2066 CB GLU A 129 -10.741 -0.375 -10.357 1.00 0.00 C ATOM 2067 CG GLU A 129 -10.569 -1.599 -11.216 1.00 0.00 C ATOM 2068 CD GLU A 129 -9.789 -1.329 -12.459 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -8.562 -1.168 -12.383 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -10.387 -1.282 -13.549 1.00 0.00 O ATOM 0 H GLU A 129 -10.668 -2.399 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 129 -11.503 0.268 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -11.139 0.434 -10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.763 -0.053 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -10.066 -2.375 -10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -11.551 -1.988 -11.486 1.00 0.00 H new ATOM 2077 N ASP A 130 -13.722 -1.756 -9.681 1.00 0.00 N ATOM 2078 CA ASP A 130 -15.159 -1.893 -10.018 1.00 0.00 C ATOM 2079 C ASP A 130 -16.029 -1.376 -8.893 1.00 0.00 C ATOM 2080 O ASP A 130 -17.022 -0.672 -9.111 1.00 0.00 O ATOM 2081 CB ASP A 130 -15.495 -3.349 -10.263 1.00 0.00 C ATOM 2082 CG ASP A 130 -16.954 -3.598 -10.604 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -17.395 -3.219 -11.693 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -17.669 -4.247 -9.805 1.00 0.00 O ATOM 0 H ASP A 130 -13.237 -2.646 -9.566 1.00 0.00 H new ATOM 0 HA ASP A 130 -15.351 -1.307 -10.917 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.874 -3.723 -11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -15.237 -3.925 -9.374 1.00 0.00 H new ATOM 2089 N VAL A 131 -15.666 -1.727 -7.699 1.00 0.00 N ATOM 2090 CA VAL A 131 -16.390 -1.261 -6.538 1.00 0.00 C ATOM 2091 C VAL A 131 -16.000 0.199 -6.216 1.00 0.00 C ATOM 2092 O VAL A 131 -16.847 1.026 -5.881 1.00 0.00 O ATOM 2093 CB VAL A 131 -16.212 -2.218 -5.301 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -14.766 -2.443 -4.967 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -16.938 -1.700 -4.084 1.00 0.00 C ATOM 0 H VAL A 131 -14.873 -2.335 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 131 -17.454 -1.279 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 131 -16.652 -3.172 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -14.690 -3.109 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -14.261 -2.894 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -14.295 -1.489 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -16.791 -2.389 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -16.546 -0.719 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -18.003 -1.618 -4.303 1.00 0.00 H new ATOM 2105 N ILE A 132 -14.735 0.517 -6.404 1.00 0.00 N ATOM 2106 CA ILE A 132 -14.213 1.848 -6.143 1.00 0.00 C ATOM 2107 C ILE A 132 -14.776 2.901 -7.098 1.00 0.00 C ATOM 2108 O ILE A 132 -15.018 4.049 -6.696 1.00 0.00 O ATOM 2109 CB ILE A 132 -12.646 1.845 -6.077 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -12.174 1.846 -4.617 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -11.997 2.968 -6.873 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -12.687 0.683 -3.793 1.00 0.00 C ATOM 0 H ILE A 132 -14.035 -0.142 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 132 -14.565 2.145 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 132 -12.316 0.924 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -11.084 1.835 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.490 2.777 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.913 2.901 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -12.277 2.879 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -12.335 3.930 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -12.305 0.762 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -13.777 0.703 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -12.349 -0.254 -4.236 1.00 0.00 H new ATOM 2124 N GLU A 133 -15.023 2.513 -8.331 1.00 0.00 N ATOM 2125 CA GLU A 133 -15.617 3.409 -9.304 1.00 0.00 C ATOM 2126 C GLU A 133 -17.070 3.695 -8.926 1.00 0.00 C ATOM 2127 O GLU A 133 -17.613 4.752 -9.239 1.00 0.00 O ATOM 2128 CB GLU A 133 -15.503 2.852 -10.736 1.00 0.00 C ATOM 2129 CG GLU A 133 -16.277 1.584 -10.985 1.00 0.00 C ATOM 2130 CD GLU A 133 -16.163 1.089 -12.400 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -15.048 0.772 -12.847 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -17.204 1.007 -13.112 1.00 0.00 O ATOM 0 H GLU A 133 -14.821 1.578 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 133 -15.064 4.348 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -15.847 3.614 -11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -14.451 2.668 -10.956 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -15.921 0.809 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -17.328 1.755 -10.750 1.00 0.00 H new ATOM 2139 N HIS A 134 -17.669 2.775 -8.195 1.00 0.00 N ATOM 2140 CA HIS A 134 -19.034 2.923 -7.773 1.00 0.00 C ATOM 2141 C HIS A 134 -19.078 3.777 -6.500 1.00 0.00 C ATOM 2142 O HIS A 134 -20.075 4.339 -6.168 1.00 0.00 O ATOM 2143 CB HIS A 134 -19.680 1.551 -7.545 1.00 0.00 C ATOM 2144 CG HIS A 134 -21.148 1.513 -7.862 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -21.667 0.904 -8.985 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -22.206 2.005 -7.186 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -22.995 1.040 -8.954 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -23.373 1.703 -7.878 1.00 0.00 N ATOM 0 H HIS A 134 -17.221 1.913 -7.883 1.00 0.00 H new ATOM 0 HA HIS A 134 -19.605 3.426 -8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -19.166 0.811 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -19.535 1.259 -6.505 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -22.155 2.548 -6.254 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -23.668 0.659 -9.708 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -24.327 1.945 -7.609 1.00 0.00 H new ATOM 2156 N MET A 135 -17.977 3.829 -5.784 1.00 0.00 N ATOM 2157 CA MET A 135 -17.854 4.681 -4.597 1.00 0.00 C ATOM 2158 C MET A 135 -17.708 6.147 -5.026 1.00 0.00 C ATOM 2159 O MET A 135 -18.407 7.049 -4.521 1.00 0.00 O ATOM 2160 CB MET A 135 -16.620 4.294 -3.769 1.00 0.00 C ATOM 2161 CG MET A 135 -16.527 2.853 -3.243 1.00 0.00 C ATOM 2162 SD MET A 135 -17.784 2.388 -2.030 1.00 0.00 S ATOM 2163 CE MET A 135 -19.195 1.990 -3.052 1.00 0.00 C ATOM 0 H MET A 135 -17.139 3.289 -5.997 1.00 0.00 H new ATOM 0 HA MET A 135 -18.751 4.546 -3.992 1.00 0.00 H new ATOM 0 HB2 MET A 135 -15.736 4.485 -4.378 1.00 0.00 H new ATOM 0 HB3 MET A 135 -16.568 4.966 -2.912 1.00 0.00 H new ATOM 0 HG2 MET A 135 -16.593 2.170 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 135 -15.544 2.710 -2.795 1.00 0.00 H new ATOM 0 HE1 MET A 135 -19.997 2.702 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 135 -18.909 2.042 -4.103 1.00 0.00 H new ATOM 0 HE3 MET A 135 -19.540 0.983 -2.819 1.00 0.00 H new ATOM 2173 N LYS A 136 -16.828 6.375 -5.997 1.00 0.00 N ATOM 2174 CA LYS A 136 -16.516 7.722 -6.478 1.00 0.00 C ATOM 2175 C LYS A 136 -17.678 8.389 -7.202 1.00 0.00 C ATOM 2176 O LYS A 136 -17.694 9.601 -7.346 1.00 0.00 O ATOM 2177 CB LYS A 136 -15.229 7.761 -7.311 1.00 0.00 C ATOM 2178 CG LYS A 136 -15.257 6.896 -8.546 1.00 0.00 C ATOM 2179 CD LYS A 136 -13.904 6.854 -9.258 1.00 0.00 C ATOM 2180 CE LYS A 136 -12.802 6.293 -8.358 1.00 0.00 C ATOM 2181 NZ LYS A 136 -11.527 6.118 -9.073 1.00 0.00 N ATOM 0 H LYS A 136 -16.311 5.635 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 136 -16.338 8.316 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -15.035 8.791 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -14.395 7.448 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -15.551 5.883 -8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -16.015 7.272 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -13.986 6.242 -10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -13.632 7.859 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.652 6.963 -7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -13.122 5.334 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -10.813 5.736 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -11.661 5.458 -9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -11.205 7.037 -9.439 1.00 0.00 H new ATOM 2195 N THR A 137 -18.652 7.600 -7.657 1.00 0.00 N ATOM 2196 CA THR A 137 -19.825 8.168 -8.305 1.00 0.00 C ATOM 2197 C THR A 137 -20.669 8.945 -7.262 1.00 0.00 C ATOM 2198 O THR A 137 -21.414 9.866 -7.606 1.00 0.00 O ATOM 2199 CB THR A 137 -20.695 7.083 -9.052 1.00 0.00 C ATOM 2200 OG1 THR A 137 -21.669 7.702 -9.902 1.00 0.00 O ATOM 2201 CG2 THR A 137 -21.435 6.188 -8.083 1.00 0.00 C ATOM 0 H THR A 137 -18.650 6.582 -7.589 1.00 0.00 H new ATOM 0 HA THR A 137 -19.479 8.857 -9.076 1.00 0.00 H new ATOM 0 HB THR A 137 -19.997 6.487 -9.640 1.00 0.00 H new ATOM 0 HG1 THR A 137 -22.195 7.010 -10.355 1.00 0.00 H new ATOM 0 HG21 THR A 137 -22.021 5.456 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 137 -20.718 5.670 -7.446 1.00 0.00 H new ATOM 0 HG23 THR A 137 -22.100 6.792 -7.465 1.00 0.00 H new ATOM 2209 N TYR A 138 -20.516 8.594 -5.979 1.00 0.00 N ATOM 2210 CA TYR A 138 -21.199 9.291 -4.929 1.00 0.00 C ATOM 2211 C TYR A 138 -20.356 10.477 -4.547 1.00 0.00 C ATOM 2212 O TYR A 138 -20.800 11.614 -4.613 1.00 0.00 O ATOM 2213 CB TYR A 138 -21.417 8.377 -3.723 1.00 0.00 C ATOM 2214 CG TYR A 138 -22.334 7.205 -3.989 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -23.696 7.335 -3.822 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -21.839 5.974 -4.381 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -24.557 6.270 -4.043 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -22.686 4.901 -4.601 1.00 0.00 C ATOM 2219 CZ TYR A 138 -24.041 5.052 -4.433 1.00 0.00 C ATOM 2220 OH TYR A 138 -24.887 3.976 -4.645 1.00 0.00 O ATOM 0 H TYR A 138 -19.921 7.829 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 138 -22.182 9.616 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -20.451 7.999 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -21.829 8.967 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -24.102 8.287 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -20.775 5.848 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -25.622 6.394 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -22.282 3.947 -4.904 1.00 0.00 H new ATOM 0 HH TYR A 138 -24.488 3.166 -4.265 1.00 0.00 H new ATOM 2230 N SER A 139 -19.110 10.185 -4.176 1.00 0.00 N ATOM 2231 CA SER A 139 -18.070 11.168 -3.831 1.00 0.00 C ATOM 2232 C SER A 139 -18.485 12.225 -2.786 1.00 0.00 C ATOM 2233 O SER A 139 -17.860 13.290 -2.687 1.00 0.00 O ATOM 2234 CB SER A 139 -17.493 11.802 -5.100 1.00 0.00 C ATOM 2235 OG SER A 139 -18.497 12.373 -5.929 1.00 0.00 O ATOM 0 H SER A 139 -18.779 9.223 -4.103 1.00 0.00 H new ATOM 0 HA SER A 139 -17.286 10.604 -3.326 1.00 0.00 H new ATOM 0 HB2 SER A 139 -16.774 12.573 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 139 -16.947 11.046 -5.664 1.00 0.00 H new ATOM 0 HG SER A 139 -18.080 12.766 -6.724 1.00 0.00 H new ATOM 2241 N GLY A 140 -19.500 11.930 -2.015 1.00 0.00 N ATOM 2242 CA GLY A 140 -19.941 12.811 -1.015 1.00 0.00 C ATOM 2243 C GLY A 140 -21.395 12.771 -1.040 1.00 0.00 C ATOM 2244 O GLY A 140 -22.020 13.663 -1.643 1.00 0.00 O ATOM 2245 OXT GLY A 140 -21.926 11.751 -0.636 1.00 0.00 O ATOM 0 H GLY A 140 -20.033 11.063 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -19.562 12.510 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.578 13.822 -1.201 1.00 0.00 H new TER 2249 GLY A 140